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

Systemtic Name: [3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxidanylidene-propyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: [3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxo-propyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-[(2-cyclopentyl-3-pyrazolyl)amino]-3-oxopropyl]-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxopropyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [3-[(2-cyclopentylpyrazol-3-yl)amino]-3-keto-propyl]-methyl-veratryl-ammonium Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC=NN1C2CCCC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC=NN1C2CCCC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H30N4O3/c1-24(15-16-8-9-18(27-2)19(14-16)28-3)13-11-21(26)23-20-10-12-22-25(20)17-6-4-5-7-17/h8-10,12,14,17H,4-7,11,13,15H2,1-3H3,(H,23,26)/p+1