cyclohexylmethyl-[(2-methoxycarbonylphenyl)methyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium

Systemtic Name: cyclohexylmethyl-[(2-methoxycarbonylphenyl)methyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-(cyclohexylmethyl)-[(2-methoxycarbonylphenyl)methyl]ammonium CAS Name: cyclohexylmethyl-[(2-methoxycarbonylphenyl)methyl]-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-(cyclohexylmethyl)-[(2-methoxycarbonylphenyl)methyl]azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-(2-carbomethoxybenzyl)-(cyclohexylmethyl)ammonium Formula: C28H35N2O2+ MolecularWeight: 431.5897

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C[NH+](CC2CCCCC2)CC3=CC=CN3CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C[NH+](CC2CCCCC2)CC3=CC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O2/c1-32-28(31)27-17-9-8-15-25(27)21-29(19-23-11-4-2-5-12-23)22-26-16-10-18-30(26)20-24-13-6-3-7-14-24/h3,6-10,13-18,23H,2,4-5,11-12,19-22H2,1H3/p+1