[(2S)-2-[methyl(phenyl)amino]-2-(1-methylpyrazol-4-yl)ethyl]azanium

Systemtic Name: [(2S)-2-[methyl(phenyl)amino]-2-(1-methylpyrazol-4-yl)ethyl]azanium Openeye Name: [(2S)-2-(N-methylanilino)-2-(1-methylpyrazol-4-yl)ethyl]ammonium CAS Name: [(2S)-2-(N-methylanilino)-2-(1-methyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [(2S)-2-(N-methylanilino)-2-(1-methylpyrazol-4-yl)ethyl]azanium Traditional Name: [(2S)-2-(N-methylanilino)-2-(1-methylpyrazol-4-yl)ethyl]ammonium Formula: C13H19N4+ MolecularWeight: 231.31676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(C[NH3+])N(C)C2=CC=CC=C2

Isomeric SMILES

CN1C=C(C=N1)[C@@H](C[NH3+])N(C)C2=CC=CC=C2

InChI

InChI=1S/C13H18N4/c1-16-10-11(9-15-16)13(8-14)17(2)12-6-4-3-5-7-12/h3-7,9-10,13H,8,14H2,1-2H3/p+1/t13-/m1/s1