2-chloranyl-N-[(2S)-1-oxidanylidene-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-oxidanylidene-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-1-methyl-2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 2-chloro-N-[(2S)-1-oxo-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-2-keto-1-methyl-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C19H23ClN3O2S+ MolecularWeight: 392.92282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CSC=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CSC=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H22ClN3O2S/c1-14(21-18(24)16-4-2-3-5-17(16)20)19(25)23-9-7-22(8-10-23)12-15-6-11-26-13-15/h2-6,11,13-14H,7-10,12H2,1H3,(H,21,24)/p+1/t14-/m0/s1