[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(4-dimethylaminophenyl)methyl]-methyl-azanium

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(4-dimethylaminophenyl)methyl]-methyl-azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-[(4-dimethylaminophenyl)methyl]-methyl-ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-[(4-dimethylaminophenyl)methyl]-methylammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(4-dimethylaminophenyl)methyl]-methylazanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH+](C)CC2=CC=C(C=C2)N(C)C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH+](C)CC2=CC=C(C=C2)N(C)C)C(=O)NC)N

InChI

InChI=1S/C20H28N4O3S/c1-6-27-20(26)16-15(17(19(25)22-2)28-18(16)21)12-24(5)11-13-7-9-14(10-8-13)23(3)4/h7-10H,6,11-12,21H2,1-5H3,(H,22,25)/p+1