[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-[1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c28-23(21-17-24-27(19-21)18-20-7-3-1-4-8-20)26-13-11-25(12-14-26)15-16-29-22-9-5-2-6-10-22/h1-10,17,19H,11-16,18H2/p+1