(2-cyanophenyl)methyl-cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium

Systemtic Name: (2-cyanophenyl)methyl-cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: (2-cyanophenyl)methyl-cyclohexyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: (2-cyanophenyl)methyl-cyclohexyl-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: (2-cyanophenyl)methyl-cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: (2-cyanobenzyl)-cyclohexyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C27H32N3+ MolecularWeight: 398.56308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC3=CC=CC=C3C#N)C4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC3=CC=CC=C3C#N)C4CCCCC4

InChI

InChI=1S/C27H31N3/c1-22-10-5-6-12-24(22)19-29-17-9-16-27(29)21-30(26-14-3-2-4-15-26)20-25-13-8-7-11-23(25)18-28/h5-13,16-17,26H,2-4,14-15,19-21H2,1H3/p+1