methyl 8-[(3,5-dimethylphenyl)methyl]-9-oxidanidyl-7,8-dihydro-6H-carbazol-9-ium-4-carboxylate

Systemtic Name: methyl 8-[(3,5-dimethylphenyl)methyl]-9-oxidanidyl-7,8-dihydro-6H-carbazol-9-ium-4-carboxylate Openeye Name: methyl 8-[(3,5-dimethylphenyl)methyl]-9-oxido-7,8-dihydro-6H-carbazol-9-ium-4-carboxylate CAS Name: 8-[(3,5-dimethylphenyl)methyl]-9-oxido-7,8-dihydro-6H-carbazol-9-ium-4-carboxylic acid methyl ester IUPAC Name: methyl 8-[(3,5-dimethylphenyl)methyl]-9-oxido-7,8-dihydro-6H-carbazol-9-ium-4-carboxylate Traditional Name: 8-(3,5-dimethylbenzyl)-9-oxido-7,8-dihydro-6H-carbazol-9-ium-4-carboxylic acid methyl ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC2CCC=C3C2=[N+](C4=CC=CC(=C34)C(=O)OC)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)CC2CCC=C3C2=[N+](C4=CC=CC(=C34)C(=O)OC)[O-])C

InChI

InChI=1S/C23H23NO3/c1-14-10-15(2)12-16(11-14)13-17-6-4-7-18-21-19(23(25)27-3)8-5-9-20(21)24(26)22(17)18/h5,7-12,17H,4,6,13H2,1-3H3