2-dimethylaminoethyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: 2-dimethylaminoethyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-dimethylaminoethyl)-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: 2-dimethylaminoethyl-[[1-(4,6-dimethyl-2-pyrimidinyl)-2-pyrrolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-dimethylaminoethyl)-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: benzyl-(2-dimethylaminoethyl)-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C22H30N5+ MolecularWeight: 364.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+](CCN(C)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+](CCN(C)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N5/c1-18-15-19(2)24-22(23-18)27-12-8-11-21(27)17-26(14-13-25(3)4)16-20-9-6-5-7-10-20/h5-12,15H,13-14,16-17H2,1-4H3/p+1