1-[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S/c1-15(19(24)21-14-18-8-5-13-26-18)23-11-9-16(10-12-23)20(25)22-17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3,(H,21,24)(H,22,25)/p+1/t15-/m0/s1