[2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-methyl-azanium Openeye Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thienyl)amino]-2-oxo-ethyl]-[(4-dimethylaminophenyl)methyl]-methyl-ammonium CAS Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thiophenyl)amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-methylammonium IUPAC Name: [2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-methylazanium Traditional Name: [2-[(3-carbethoxy-4-cyclopropyl-2-thienyl)amino]-2-keto-ethyl]-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+](C)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+](C)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H29N3O3S/c1-5-28-22(27)20-18(16-8-9-16)14-29-21(20)23-19(26)13-25(4)12-15-6-10-17(11-7-15)24(2)3/h6-7,10-11,14,16H,5,8-9,12-13H2,1-4H3,(H,23,26)/p+1