(1-methylbenzimidazol-2-yl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium

Systemtic Name: (1-methylbenzimidazol-2-yl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium Openeye Name: (1-methylbenzimidazol-2-yl)methyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium CAS Name: (1-methyl-2-benzimidazolyl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]ammonium IUPAC Name: (1-methylbenzimidazol-2-yl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]azanium Traditional Name: (1-methylbenzimidazol-2-yl)methyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium Formula: C21H23N6+ MolecularWeight: 359.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]CC2=NC3=CC=CC=C3N2C)C4=CC=NC=C4

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]CC2=NC3=CC=CC=C3N2C)C4=CC=NC=C4

InChI

InChI=1S/C21H22N6/c1-14(23-13-20-26-18-6-4-5-7-19(18)27(20)3)17-12-24-21(25-15(17)2)16-8-10-22-11-9-16/h4-12,14,23H,13H2,1-3H3/p+1/t14-/m0/s1