[3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxidanylidene-propyl]-[(2,4-dimethylphenyl)methyl]-methyl-azanium

Systemtic Name: [3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxidanylidene-propyl]-[(2,4-dimethylphenyl)methyl]-methyl-azanium Openeye Name: [3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxo-propyl]-[(2,4-dimethylphenyl)methyl]-methyl-ammonium CAS Name: [3-[(2-cyclopentyl-3-pyrazolyl)amino]-3-oxopropyl]-[(2,4-dimethylphenyl)methyl]-methylammonium IUPAC Name: [3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxopropyl]-[(2,4-dimethylphenyl)methyl]-methylazanium Traditional Name: [3-[(2-cyclopentylpyrazol-3-yl)amino]-3-keto-propyl]-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CCC(=O)NC2=CC=NN2C3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CCC(=O)NC2=CC=NN2C3CCCC3)C

InChI

InChI=1S/C21H30N4O/c1-16-8-9-18(17(2)14-16)15-24(3)13-11-21(26)23-20-10-12-22-25(20)19-6-4-5-7-19/h8-10,12,14,19H,4-7,11,13,15H2,1-3H3,(H,23,26)/p+1