(5-chloranylthiophen-2-yl)methyl-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: [3-(4-acetylanilino)-3-oxo-propyl]-[(5-chloro-2-thienyl)methyl]-methyl-ammonium CAS Name: [3-(4-acetylanilino)-3-oxopropyl]-[(5-chloro-2-thiophenyl)methyl]-methylammonium IUPAC Name: [3-(4-acetylanilino)-3-oxopropyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium Traditional Name: [3-(4-acetylanilino)-3-keto-propyl]-[(5-chloro-2-thienyl)methyl]-methyl-ammonium Formula: C17H20ClN2O2S+ MolecularWeight: 351.8709

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+](C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+](C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C17H19ClN2O2S/c1-12(21)13-3-5-14(6-4-13)19-17(22)9-10-20(2)11-15-7-8-16(18)23-15/h3-8H,9-11H2,1-2H3,(H,19,22)/p+1