[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium

Systemtic Name: [3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Openeye Name: [3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]ammonium CAS Name: [3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl-methyl-[(1S)-1-(4-pyrimidinyl)ethyl]ammonium IUPAC Name: [3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Traditional Name: [3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-(4-pyrimidyl)ethyl]ammonium Formula: C18H21ClN5+ MolecularWeight: 342.84584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)[NH+](C)CC2=CN(N=C2C3=CC(=CC=C3)Cl)C

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)[NH+](C)CC2=CN(N=C2C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C18H20ClN5/c1-13(17-7-8-20-12-21-17)23(2)10-15-11-24(3)22-18(15)14-5-4-6-16(19)9-14/h4-9,11-13H,10H2,1-3H3/p+1/t13-/m0/s1