(3S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2-ethylthiazol-4-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[(2-ethyl-4-thiazolyl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-[(2-ethylthiazol-4-yl)methyl]-6-keto-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C18H29N4O3S+ MolecularWeight: 381.51286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)CNC(=O)C2CCC(=O)N(C2)CC[NH+]3CCOCC3

Isomeric SMILES

CCC1=NC(=CS1)CNC(=O)[C@H]2CCC(=O)N(C2)CC[NH+]3CCOCC3

InChI

InChI=1S/C18H28N4O3S/c1-2-16-20-15(13-26-16)11-19-18(24)14-3-4-17(23)22(12-14)6-5-21-7-9-25-10-8-21/h13-14H,2-12H2,1H3,(H,19,24)/p+1/t14-/m0/s1