(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-[(4-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-[(4-piperidin-1-ylphenyl)methyl]azanium Openeye Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-[[4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: (3,5-dimethyl-4-nitro-1-pyrazolyl)methyl-methyl-[[4-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: (3,5-dimethyl-4-nitropyrazol-1-yl)methyl-methyl-[(4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-(4-piperidinobenzyl)ammonium Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+](C)CC2=CC=C(C=C2)N3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+](C)CC2=CC=C(C=C2)N3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O2/c1-15-19(24(25)26)16(2)23(20-15)14-21(3)13-17-7-9-18(10-8-17)22-11-5-4-6-12-22/h7-10H,4-6,11-14H2,1-3H3/p+1