[8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate

Systemtic Name: [8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate Openeye Name: [8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [8-(4-ethylbenzyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C31H34NO3+ MolecularWeight: 468.60656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)C

InChI

InChI=1S/C31H34NO3/c1-3-21-12-14-22(15-13-21)20-32(2)23-16-17-24(32)19-25(18-23)34-31(33)30-26-8-4-6-10-28(26)35-29-11-7-5-9-27(29)30/h4-15,23-25,30H,3,16-20H2,1-2H3/q+1