(3S)-1-(2-methylpropanoyl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-methylpropanoyl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide CAS Name: (3S)-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-1-(2-methyl-1-oxopropyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-1-isobutyryl-nipecotamide Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCC(C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCC[C@@H](C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H34N4O3/c1-17(2)23(30)27-12-6-7-18(15-27)22(29)25-20-10-13-26(14-11-20)16-21(28)24-19-8-4-3-5-9-19/h3-5,8-9,17-18,20H,6-7,10-16H2,1-2H3,(H,24,28)(H,25,29)/p+1/t18-/m0/s1