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

Systemtic Name: (3S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-benzothiazol-2-ylmethyl)-6-keto-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3CCC(=O)N(C3)CC[NH+]4CCOCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)[C@H]3CCC(=O)N(C3)CC[NH+]4CCOCC4

InChI

InChI=1S/C21H28N4O3S/c1-23(15-19-22-17-4-2-3-5-18(17)29-19)21(27)16-6-7-20(26)25(14-16)9-8-24-10-12-28-13-11-24/h2-5,16H,6-15H2,1H3/p+1/t16-/m0/s1