cyclohexyl-[(3-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium

Systemtic Name: cyclohexyl-[(3-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: cyclohexyl-[(3-methoxyphenyl)methyl]-[[1-(p-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclohexyl-[(3-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclohexyl-[(3-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclohexyl-m-anisyl-[[1-(4-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C27H35N2O+ MolecularWeight: 403.5796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC=C2C[NH+](CC3=CC(=CC=C3)OC)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC=C2C[NH+](CC3=CC(=CC=C3)OC)C4CCCCC4

InChI

InChI=1S/C27H34N2O/c1-22-13-15-23(16-14-22)19-28-17-7-11-26(28)21-29(25-9-4-3-5-10-25)20-24-8-6-12-27(18-24)30-2/h6-8,11-18,25H,3-5,9-10,19-21H2,1-2H3/p+1