cyclohexyl-[(3-methoxyphenyl)methyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium

Systemtic Name: cyclohexyl-[(3-methoxyphenyl)methyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-cyclohexyl-[(3-methoxyphenyl)methyl]ammonium CAS Name: cyclohexyl-[(3-methoxyphenyl)methyl]-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-cyclohexyl-[(3-methoxyphenyl)methyl]azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-cyclohexyl-m-anisyl-ammonium Formula: C26H33N2O+ MolecularWeight: 389.55302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+](CC2=CC=CN2CC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+](CC2=CC=CN2CC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C26H32N2O/c1-29-26-16-8-12-23(18-26)20-28(24-13-6-3-7-14-24)21-25-15-9-17-27(25)19-22-10-4-2-5-11-22/h2,4-5,8-12,15-18,24H,3,6-7,13-14,19-21H2,1H3/p+1