(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 2-(aminomethyl)-10-methyl-acridin-10-ium-9-carboxylate

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 2-(aminomethyl)-10-methyl-acridin-10-ium-9-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 2-(aminomethyl)-10-methyl-acridin-10-ium-9-carboxylate CAS Name: 2-(aminomethyl)-10-methyl-9-acridin-10-iumcarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-(aminomethyl)-10-methylacridin-10-ium-9-carboxylate Traditional Name: 2-(aminomethyl)-10-methyl-acridin-10-ium-9-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C32H29N2O4+ MolecularWeight: 505.58366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)C)CN)C)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)C)CN)C)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H29N2O4/c1-20-15-24(31(35)37-19-22-9-5-4-6-10-22)16-21(2)30(20)38-32(36)29-25-11-7-8-12-27(25)34(3)28-14-13-23(18-33)17-26(28)29/h4-17H,18-19,33H2,1-3H3/q+1