1-[1-[(3S)-3-methylpentanoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(3S)-3-methylpentanoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(3S)-3-methylpentanoyl]-4-piperidyl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(3S)-3-methyl-1-oxopentyl]-4-piperidinyl]-N-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(3S)-3-methylpentanoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(3S)-3-methylpentanoyl]-4-piperidyl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C23H37N4O2+ MolecularWeight: 401.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC[C@H](C)CC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C23H36N4O2/c1-3-18(2)15-22(28)27-13-8-21(9-14-27)26-11-6-20(7-12-26)23(29)25-17-19-5-4-10-24-16-19/h4-5,10,16,18,20-21H,3,6-9,11-15,17H2,1-2H3,(H,25,29)/p+1/t18-/m0/s1