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

Systemtic Name: cyclohexyl-[(2-methoxycarbonylphenyl)methyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-cyclohexyl-[(2-methoxycarbonylphenyl)methyl]ammonium CAS Name: cyclohexyl-[(2-methoxycarbonylphenyl)methyl]-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-cyclohexyl-[(2-methoxycarbonylphenyl)methyl]azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-(2-carbomethoxybenzyl)-cyclohexyl-ammonium Formula: C27H33N2O2+ MolecularWeight: 417.56312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C[NH+](CC2=CC=CN2CC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C[NH+](CC2=CC=CN2CC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C27H32N2O2/c1-31-27(30)26-17-9-8-13-23(26)20-29(24-14-6-3-7-15-24)21-25-16-10-18-28(25)19-22-11-4-2-5-12-22/h2,4-5,8-13,16-18,24H,3,6-7,14-15,19-21H2,1H3/p+1