(5-chloranylthiophen-2-yl)methyl-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-chloro-2-thienyl)methyl-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: (5-chloro-2-thienyl)methyl-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C20H26ClN4OS+ MolecularWeight: 405.96464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)CC2=CC=C(S2)Cl)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)CC2=CC=C(S2)Cl)C3CCCC3)C

InChI

InChI=1S/C20H25ClN4OS/c1-13-14(2)25(15-6-4-5-7-15)20(17(13)10-22)23-19(26)12-24(3)11-16-8-9-18(21)27-16/h8-9,15H,4-7,11-12H2,1-3H3,(H,23,26)/p+1