[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl-(2-dimethylaminoethyl)-(phenylmethyl)azanium

Systemtic Name: [1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl-(2-dimethylaminoethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]-(2-dimethylaminoethyl)ammonium CAS Name: [1-(2-chloro-3-pyridinyl)-2-pyrrolyl]methyl-(2-dimethylaminoethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methyl]-(2-dimethylaminoethyl)azanium Traditional Name: benzyl-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]-(2-dimethylaminoethyl)ammonium Formula: C21H26ClN4+ MolecularWeight: 369.91094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4/c1-24(2)14-15-25(16-18-8-4-3-5-9-18)17-19-10-7-13-26(19)20-11-6-12-23-21(20)22/h3-13H,14-17H2,1-2H3/p+1