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

Systemtic Name: (3-cyanophenyl)methyl-cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-[(3-cyanophenyl)methyl]-cyclohexyl-ammonium CAS Name: (3-cyanophenyl)methyl-cyclohexyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(3-cyanophenyl)methyl]-cyclohexylazanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-(3-cyanobenzyl)-cyclohexyl-ammonium Formula: C26H30N3+ MolecularWeight: 384.5365

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC2=CC=CC(=C2)C#N)CC3=CC=CN3CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+](CC2=CC=CC(=C2)C#N)CC3=CC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3/c27-18-23-11-7-12-24(17-23)20-29(25-13-5-2-6-14-25)21-26-15-8-16-28(26)19-22-9-3-1-4-10-22/h1,3-4,7-12,15-17,25H,2,5-6,13-14,19-21H2/p+1