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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CNC(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CSC(=N1)CNC(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C18H28N4O3S/c1-14-13-26-16(20-14)11-19-18(24)15-3-4-17(23)22(12-15)6-2-5-21-7-9-25-10-8-21/h13,15H,2-12H2,1H3,(H,19,24)/p+1/t15-/m0/s1