(3S)-N-[(5-methylthiophen-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(5-methylthiophen-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(5-methyl-2-thienyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[(5-methyl-2-thiophenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(5-methylthiophen-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[(5-methyl-2-thienyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CNC(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(S1)CNC(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C19H29N3O3S/c1-15-3-5-17(26-15)13-20-19(24)16-4-6-18(23)22(14-16)8-2-7-21-9-11-25-12-10-21/h3,5,16H,2,4,6-14H2,1H3,(H,20,24)/p+1/t16-/m0/s1