[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3/c1-4-12-28-13-15-29(16-14-28)26(31)22-19-30(18-20-8-6-5-7-9-20)27-25(22)21-10-11-23(32-2)24(17-21)33-3/h5-11,17,19H,4,12-16,18H2,1-3H3/p+1