1-[4-(2-cyanoethyl)-2,6-dimethyl-phenyl]acridin-10-ium-10-carboxylic acid

Systemtic Name: 1-[4-(2-cyanoethyl)-2,6-dimethyl-phenyl]acridin-10-ium-10-carboxylic acid Openeye Name: 1-[4-(2-cyanoethyl)-2,6-dimethyl-phenyl]acridin-10-ium-10-carboxylic acid CAS Name: 1-[4-(2-cyanoethyl)-2,6-dimethylphenyl]-10-acridin-10-iumcarboxylic acid IUPAC Name: 1-[4-(2-cyanoethyl)-2,6-dimethylphenyl]acridin-10-ium-10-carboxylic acid Traditional Name: 1-[4-(2-cyanoethyl)-2,6-dimethyl-phenyl]acridin-10-ium-10-carboxylic acid Formula: C25H21N2O2+ MolecularWeight: 381.44644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC=CC3=[N+](C4=CC=CC=C4C=C32)C(=O)O)C)CCC#N

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC=CC3=[N+](C4=CC=CC=C4C=C32)C(=O)O)C)CCC#N

InChI

InChI=1S/C25H20N2O2/c1-16-13-18(7-6-12-26)14-17(2)24(16)20-9-5-11-23-21(20)15-19-8-3-4-10-22(19)27(23)25(28)29/h3-5,8-11,13-15H,6-7H2,1-2H3/p+1