cyclopropyl-[(2-methoxycarbonylphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium

Systemtic Name: cyclopropyl-[(2-methoxycarbonylphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: cyclopropyl-[(2-methoxycarbonylphenyl)methyl]-[[1-(p-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclopropyl-[(2-methoxycarbonylphenyl)methyl]-[[1-[(4-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclopropyl-[(2-methoxycarbonylphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: (2-carbomethoxybenzyl)-cyclopropyl-[[1-(4-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC=C2C[NH+](CC3=CC=CC=C3C(=O)OC)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC=C2C[NH+](CC3=CC=CC=C3C(=O)OC)C4CC4

InChI

InChI=1S/C25H28N2O2/c1-19-9-11-20(12-10-19)16-26-15-5-7-23(26)18-27(22-13-14-22)17-21-6-3-4-8-24(21)25(28)29-2/h3-12,15,22H,13-14,16-18H2,1-2H3/p+1