(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[furan-2-ylmethyl(methyl)amino]pyridin-3-yl]methanone

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[furan-2-ylmethyl(methyl)amino]pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[2-furylmethyl(methyl)amino]-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[2-furanylmethyl(methyl)amino]-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[furan-2-ylmethyl(methyl)amino]pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[2-furfuryl(methyl)amino]-3-pyridyl]methanone Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C2=NC=C(C=C2)C(=O)N3CCC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CN(CC1=CC=CO1)C2=NC=C(C=C2)C(=O)N3CCC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C23H32N4O2/c1-25(18-21-9-5-16-29-21)22-11-10-19(17-24-22)23(28)27-13-6-12-26(14-15-27)20-7-3-2-4-8-20/h5,9-11,16-17,20H,2-4,6-8,12-15,18H2,1H3/p+1