[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-bis(phenylmethyl)azanium

Systemtic Name: [1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: [1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: dibenzyl-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C27H29N2+ MolecularWeight: 381.53256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2/c1-23-10-8-15-26(18-23)21-29-17-9-16-27(29)22-28(19-24-11-4-2-5-12-24)20-25-13-6-3-7-14-25/h2-18H,19-22H2,1H3/p+1