2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; benzenesulfonate

Systemtic Name: 2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; benzenesulfonate Openeye Name: 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; benzenesulfonate CAS Name: 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; benzenesulfonate IUPAC Name: 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; benzenesulfonate Traditional Name: 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate besylate Formula: C23H22ClN2O8S-3 MolecularWeight: 521.94738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COCCN)C(=O)[O-])C2=CC=CC=C2Cl)C(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)COCCN)C(=O)[O-])C2=CC=CC=C2Cl)C(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C17H19ClN2O5.C6H6O3S/c1-9-13(16(21)22)14(10-4-2-3-5-11(10)18)15(17(23)24)12(20-9)8-25-7-6-19;7-10(8,9)6-4-2-1-3-5-6/h2-5,14,20H,6-8,19H2,1H3,(H,21,22)(H,23,24);1-5H,(H,7,8,9)/p-3