(4-aminocarbonylphenyl)methyl-methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: (4-aminocarbonylphenyl)methyl-methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzylpyrazol-4-yl)methyl-[(4-carbamoylphenyl)methyl]-methyl-ammonium CAS Name: (4-carbamoylphenyl)methyl-methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzylpyrazol-4-yl)methyl-[(4-carbamoylphenyl)methyl]-methylazanium Traditional Name: (1-benzylpyrazol-4-yl)methyl-(4-carbamoylbenzyl)-methyl-ammonium Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(=O)N)CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(=O)N)CC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O/c1-23(12-17-7-9-19(10-8-17)20(21)25)13-18-11-22-24(15-18)14-16-5-3-2-4-6-16/h2-11,15H,12-14H2,1H3,(H2,21,25)/p+1