4-[3-(aminomethyl)-10-methyl-acridin-10-ium-9-yl]carbonyloxy-3,5-dimethyl-benzoic acid

Systemtic Name: 4-[3-(aminomethyl)-10-methyl-acridin-10-ium-9-yl]carbonyloxy-3,5-dimethyl-benzoic acid Openeye Name: 4-[3-(aminomethyl)-10-methyl-acridin-10-ium-9-carbonyl]oxy-3,5-dimethyl-benzoic acid CAS Name: 4-[[3-(aminomethyl)-10-methyl-9-acridin-10-iumyl]-oxomethoxy]-3,5-dimethylbenzoic acid IUPAC Name: 4-[3-(aminomethyl)-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid Traditional Name: 4-[3-(aminomethyl)-10-methyl-acridin-10-ium-9-carbonyl]oxy-3,5-dimethyl-benzoic acid Formula: C25H23N2O4+ MolecularWeight: 415.46112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4/c1-14-10-17(24(28)29)11-15(2)23(14)31-25(30)22-18-6-4-5-7-20(18)27(3)21-12-16(13-26)8-9-19(21)22/h4-12H,13,26H2,1-3H3/p+1