[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl]-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-(cyclopentylcarbamoylamino)-2-keto-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C21H29N5O2/c1-15-19(16(2)26(24-15)18-11-5-4-6-12-18)13-25(3)14-20(27)23-21(28)22-17-9-7-8-10-17/h4-6,11-12,17H,7-10,13-14H2,1-3H3,(H2,22,23,27,28)/p+1