(3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyridin-3-yl]carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyridin-3-yl]carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[[2-ethyl-6-methyl-4-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-3-pyridinyl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[2-ethyl-4-keto-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)nicotinoyl]nipecotamide Formula: C26H43N4O3+ MolecularWeight: 459.64462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)N3CCCC(C3)C(=O)N(CC)CC

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)N3CCC[C@@H](C3)C(=O)N(CC)CC

InChI

InChI=1S/C26H42N4O3/c1-5-22-24(23(31)18-20(4)30(22)17-16-27-13-9-8-10-14-27)26(33)29-15-11-12-21(19-29)25(32)28(6-2)7-3/h18,21H,5-17,19H2,1-4H3/p+1/t21-/m0/s1