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

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(4-dimethylaminophenyl)methyl]-ethyl-azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-[(4-dimethylaminophenyl)methyl]-ethyl-ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-[(4-dimethylaminophenyl)methyl]-ethylammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(4-dimethylaminophenyl)methyl]-ethylazanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC2=C(SC(=C2C(=O)OCC)N)C(=O)NC

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC2=C(SC(=C2C(=O)OCC)N)C(=O)NC

InChI

InChI=1S/C21H30N4O3S/c1-6-25(12-14-8-10-15(11-9-14)24(4)5)13-16-17(21(27)28-7-2)19(22)29-18(16)20(26)23-3/h8-11H,6-7,12-13,22H2,1-5H3,(H,23,26)/p+1