1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]-N-[(3S)-2-oxoazepan-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-N-[(3S)-2-oxo-3-azepanyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]-N-[(3S)-2-oxoazepan-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C24H39N5O2+2 MolecularWeight: 429.59876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C24H37N5O2/c1-18-5-4-6-20(26-18)17-28-13-10-21(11-14-28)29-15-8-19(9-16-29)23(30)27-22-7-2-3-12-25-24(22)31/h4-6,19,21-22H,2-3,7-17H2,1H3,(H,25,31)(H,27,30)/p+2/t22-/m0/s1