3-azanyl-2-(4-chlorophenyl)-4-ethyl-1-methoxycarbonyl-3-(2-methoxyethyl)-1-methyl-4H-isoquinolin-2-ium-2-carboxylic acid

Systemtic Name: 3-azanyl-2-(4-chlorophenyl)-4-ethyl-1-methoxycarbonyl-3-(2-methoxyethyl)-1-methyl-4H-isoquinolin-2-ium-2-carboxylic acid Openeye Name: 3-amino-2-(4-chlorophenyl)-4-ethyl-1-methoxycarbonyl-3-(2-methoxyethyl)-1-methyl-4H-isoquinolin-2-ium-2-carboxylic acid CAS Name: 3-amino-2-(4-chlorophenyl)-4-ethyl-1-methoxycarbonyl-3-(2-methoxyethyl)-1-methyl-4H-isoquinolin-2-ium-2-carboxylic acid IUPAC Name: 3-amino-2-(4-chlorophenyl)-4-ethyl-1-methoxycarbonyl-3-(2-methoxyethyl)-1-methyl-4H-isoquinolin-2-ium-2-carboxylic acid Traditional Name: 3-amino-1-carbomethoxy-2-(4-chlorophenyl)-4-ethyl-3-(2-methoxyethyl)-1-methyl-4H-isoquinolin-2-ium-2-carboxylic acid Formula: C24H30ClN2O5+ MolecularWeight: 461.9584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=CC=C2C([N+](C1(CCOC)N)(C3=CC=C(C=C3)Cl)C(=O)O)(C)C(=O)OC

Isomeric SMILES

CCC1C2=CC=CC=C2C([N+](C1(CCOC)N)(C3=CC=C(C=C3)Cl)C(=O)O)(C)C(=O)OC

InChI

InChI=1S/C24H29ClN2O5/c1-5-19-18-8-6-7-9-20(18)23(2,21(28)32-4)27(22(29)30,24(19,26)14-15-31-3)17-12-10-16(25)11-13-17/h6-13,19H,5,14-15,26H2,1-4H3/p+1