[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: [2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: (1-benzyl-2,5-dimethyl-pyrrol-3-yl)methyl-(2-hydroxyethyl)-(3-pyridylmethyl)ammonium CAS Name: [2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]methyl-(2-hydroxyethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: (1-benzyl-2,5-dimethylpyrrol-3-yl)methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: (1-benzyl-2,5-dimethyl-pyrrol-3-yl)methyl-(2-hydroxyethyl)-(3-pyridylmethyl)ammonium Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C[NH+](CCO)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C[NH+](CCO)CC3=CN=CC=C3

InChI

InChI=1S/C22H27N3O/c1-18-13-22(19(2)25(18)16-20-7-4-3-5-8-20)17-24(11-12-26)15-21-9-6-10-23-14-21/h3-10,13-14,26H,11-12,15-17H2,1-2H3/p+1