(3S)-N-(1-benzothiophen-5-ylmethyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1-benzothiophen-5-ylmethyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-(benzothiophen-5-ylmethyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-(1-benzothiophen-5-ylmethyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1-benzothiophen-5-ylmethyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-(benzothiophen-5-ylmethyl)-6-keto-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCC2=CC3=C(C=C2)SC=C3)CC[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCC2=CC3=C(C=C2)SC=C3)CC[NH+]4CCOCC4

InChI

InChI=1S/C21H27N3O3S/c25-20-4-2-18(15-24(20)7-6-23-8-10-27-11-9-23)21(26)22-14-16-1-3-19-17(13-16)5-12-28-19/h1,3,5,12-13,18H,2,4,6-11,14-15H2,(H,22,26)/p+1/t18-/m0/s1