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

Systemtic Name: (3S)-N-[(5-chloranylthiophen-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(5-chloro-2-thienyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[(5-chloro-2-thiophenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-[(5-chloro-2-thienyl)methyl]-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCC2=CC=C(S2)Cl)CCC[NH+]3CCOCC3

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCC2=CC=C(S2)Cl)CCC[NH+]3CCOCC3

InChI

InChI=1S/C18H26ClN3O3S/c19-16-4-3-15(26-16)12-20-18(24)14-2-5-17(23)22(13-14)7-1-6-21-8-10-25-11-9-21/h3-4,14H,1-2,5-13H2,(H,20,24)/p+1/t14-/m0/s1