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

Systemtic Name: (3-cyanophenyl)methyl-(3-methoxypropyl)-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-[(3-cyanophenyl)methyl]-(3-methoxypropyl)ammonium CAS Name: (3-cyanophenyl)methyl-(3-methoxypropyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(3-cyanophenyl)methyl]-(3-methoxypropyl)azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-(3-cyanobenzyl)-(3-methoxypropyl)ammonium Formula: C24H28N3O+ MolecularWeight: 374.49862

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH+](CC1=CC=CC(=C1)C#N)CC2=CC=CN2CC3=CC=CC=C3

Isomeric SMILES

COCCC[NH+](CC1=CC=CC(=C1)C#N)CC2=CC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O/c1-28-15-7-13-26(18-23-11-5-10-22(16-23)17-25)20-24-12-6-14-27(24)19-21-8-3-2-4-9-21/h2-6,8-12,14,16H,7,13,15,18-20H2,1H3/p+1