cyclopropyl-[(2-methoxycarbonylphenyl)methyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium

Systemtic Name: cyclopropyl-[(2-methoxycarbonylphenyl)methyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: cyclopropyl-[(2-methoxycarbonylphenyl)methyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: cyclopropyl-[(2-methoxycarbonylphenyl)methyl]-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclopropyl-[(2-methoxycarbonylphenyl)methyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: (2-carbomethoxybenzyl)-cyclopropyl-[(1-m-anisylpyrrol-2-yl)methyl]ammonium Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=CC=C2C[NH+](CC3=CC=CC=C3C(=O)OC)C4CC4

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=CC=C2C[NH+](CC3=CC=CC=C3C(=O)OC)C4CC4

InChI

InChI=1S/C25H28N2O3/c1-29-23-10-5-7-19(15-23)16-26-14-6-9-22(26)18-27(21-12-13-21)17-20-8-3-4-11-24(20)25(28)30-2/h3-11,14-15,21H,12-13,16-18H2,1-2H3/p+1