1-[1-[(2S)-1-methylazepan-1-ium-2-yl]carbonylpiperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(2S)-1-methylazepan-1-ium-2-yl]carbonylpiperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(2S)-1-methylazepan-1-ium-2-carbonyl]-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[[(2S)-1-methyl-2-azepan-1-iumyl]-oxomethyl]-4-piperidinyl]-N-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(2S)-1-methylazepan-1-ium-2-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(2S)-1-methylazepan-1-ium-2-carbonyl]-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C25H41N5O2+2 MolecularWeight: 443.62534

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCCC1C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C[NH+]1CCCCC[C@H]1C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C25H39N5O2/c1-28-14-6-2-3-8-23(28)25(32)30-17-11-22(12-18-30)29-15-9-20(10-16-29)24(31)27-19-21-7-4-5-13-26-21/h4-5,7,13,20,22-23H,2-3,6,8-12,14-19H2,1H3,(H,27,31)/p+2/t23-/m0/s1