[(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: [(1R)-1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethyl]-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1R)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C22H41N5+2 MolecularWeight: 375.59444

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]C(C)C2=CN=C(N=C2C)N3CCCCCCC3

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+][C@H](C)C2=CN=C(N=C2C)N3CCCCCCC3

InChI

InChI=1S/C22H39N5/c1-4-12-26-15-10-20(11-16-26)24-18(2)21-17-23-22(25-19(21)3)27-13-8-6-5-7-9-14-27/h17-18,20,24H,4-16H2,1-3H3/p+2/t18-/m1/s1