azepan-1-yl-[1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Formula: C24H40N4O+2 MolecularWeight: 400.6006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H38N4O/c1-20-7-6-8-22(25-20)19-26-15-11-23(12-16-26)27-17-9-21(10-18-27)24(29)28-13-4-2-3-5-14-28/h6-8,21,23H,2-5,9-19H2,1H3/p+2