(3S)-1-[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=C(C=CS2)C(=O)N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=C(C=CS2)C(=O)N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3S/c20-17(25)15-8-10-27-19(15)22-16(24)12-23-9-4-5-13(11-23)18(26)21-14-6-2-1-3-7-14/h1-3,6-8,10,13H,4-5,9,11-12H2,(H2,20,25)(H,21,26)(H,22,24)/p+1/t13-/m0/s1