(4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-methoxy-1-phenyl-3-pyrazolyl)-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxy-1-phenylpyrazol-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3/c1-29-21-18-27(19-8-4-2-5-9-19)24-22(21)23(28)26-14-12-25(13-15-26)16-17-30-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3/p+1