1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-(1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c32-27(14-13-22-19-28-31(20-22)25-10-2-1-3-11-25)30-17-15-29(16-18-30)21-24-9-6-8-23-7-4-5-12-26(23)24/h1-12,19-20H,13-18,21H2/p+1