(3S)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C18H30N5O3S+ MolecularWeight: 396.5275

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2CCC(=O)N(C2)CC[NH+]3CCOCC3

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)[C@H]2CCC(=O)N(C2)CC[NH+]3CCOCC3

InChI

InChI=1S/C18H29N5O3S/c1-21-6-4-20-18(21)27-13-5-19-17(25)15-2-3-16(24)23(14-15)8-7-22-9-11-26-12-10-22/h4,6,15H,2-3,5,7-14H2,1H3,(H,19,25)/p+1/t15-/m0/s1