(4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-methoxy-1-phenyl-3-pyrazolyl)-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxy-1-phenylpyrazol-3-yl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CN(N=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2/c1-32-24-19-30(22-11-3-2-4-12-22)27-25(24)26(31)29-16-14-28(15-17-29)18-21-10-7-9-20-8-5-6-13-23(20)21/h2-13,19H,14-18H2,1H3/p+1