2-dimethylaminoethyl-(phenylmethyl)-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: 2-dimethylaminoethyl-(phenylmethyl)-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium Openeye Name: benzyl-(2-dimethylaminoethyl)-[[1-(3-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: 2-dimethylaminoethyl-(phenylmethyl)-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: benzyl-(2-dimethylaminoethyl)-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium Traditional Name: benzyl-(2-dimethylaminoethyl)-[[1-(3-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C21H27N4+ MolecularWeight: 335.46588

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH+](CC1=CC=CC=C1)CC2=CC=CN2C3=CN=CC=C3

Isomeric SMILES

CN(C)CC[NH+](CC1=CC=CC=C1)CC2=CC=CN2C3=CN=CC=C3

InChI

InChI=1S/C21H26N4/c1-23(2)14-15-24(17-19-8-4-3-5-9-19)18-21-11-7-13-25(21)20-10-6-12-22-16-20/h3-13,16H,14-15,17-18H2,1-2H3/p+1