7-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-2-[5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]pentyl]heptanoic acid

Systemtic Name: 7-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-2-[5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]pentyl]heptanoic acid Openeye Name: 7-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-2-[5-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]pentyl]heptanoic acid CAS Name: 7-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]-2-[5-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]pentyl]heptanoic acid IUPAC Name: 7-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-2-[5-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]pentyl]heptanoic acid Traditional Name: 7-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-2-[5-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]pentyl]enanthic acid Formula: C30H48N6O4+2 MolecularWeight: 556.73992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)NCCCCCC(CCCCCNC(=O)C[N+]2=CC=C(C=C2)N(C)C)C(=O)O

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)NCCCCCC(CCCCCNC(=O)C[N+]2=CC=C(C=C2)N(C)C)C(=O)O

InChI

InChI=1S/C30H46N6O4/c1-33(2)26-13-19-35(20-14-26)23-28(37)31-17-9-5-7-11-25(30(39)40)12-8-6-10-18-32-29(38)24-36-21-15-27(16-22-36)34(3)4/h13-16,19-22,25H,5-12,17-18,23-24H2,1-4H3,(H-2,31,32,37,38,39,40)/p+2