(3S)-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-(quinolin-8-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-(quinolin-8-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-(8-quinolylmethyl)piperidine-3-carboxamide CAS Name: (3S)-N-methyl-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-N-(8-quinolinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-(quinolin-8-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-N-(8-quinolylmethyl)nipecotamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC2=C1N=CC=C2)C(=O)C3CCC(=O)N(C3)CC[NH+]4CCOCC4

Isomeric SMILES

CN(CC1=CC=CC2=C1N=CC=C2)C(=O)[C@H]3CCC(=O)N(C3)CC[NH+]4CCOCC4

InChI

InChI=1S/C23H30N4O3/c1-25(16-19-5-2-4-18-6-3-9-24-22(18)19)23(29)20-7-8-21(28)27(17-20)11-10-26-12-14-30-15-13-26/h2-6,9,20H,7-8,10-17H2,1H3/p+1/t20-/m0/s1