2-[4-[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[1-(2-chlorobenzyl)-3-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C26H29ClN5O2+ MolecularWeight: 478.99376

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C26H28ClN5O2/c1-2-12-28-24(33)19-30-13-15-31(16-14-30)26(34)22-18-32(17-21-10-6-7-11-23(21)27)29-25(22)20-8-4-3-5-9-20/h2-11,18H,1,12-17,19H2,(H,28,33)/p+1