[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]azanium

Systemtic Name: [3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]azanium Openeye Name: [3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]methyl-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]ammonium CAS Name: [3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]methyl-[(2S)-1-oxo-1-(propylamino)propan-2-yl]ammonium IUPAC Name: [3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl-[(2S)-1-oxo-1-(propylamino)propan-2-yl]azanium Traditional Name: [3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]methyl-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]ammonium Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)[NH2+]CC1=C(N(N=C1C)CC2=CC=C(C=C2)C)C

Isomeric SMILES

CCCNC(=O)[C@H](C)[NH2+]CC1=C(N(N=C1C)CC2=CC=C(C=C2)C)C

InChI

InChI=1S/C20H30N4O/c1-6-11-21-20(25)16(4)22-12-19-15(3)23-24(17(19)5)13-18-9-7-14(2)8-10-18/h7-10,16,22H,6,11-13H2,1-5H3,(H,21,25)/p+1/t16-/m0/s1