(3S)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3S)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3S)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(1-naphthylmethyl)piperazin-4-ium-2-one CAS Name: (3S)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-(1-naphthalenylmethyl)-2-piperazin-4-iumone IUPAC Name: (3S)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3S)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(1-naphthylmethyl)piperazin-4-ium-2-one Formula: C26H27N4O+ MolecularWeight: 411.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH+]3CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@H]3C(=O)NCC[NH+]3CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H26N4O/c1-18-24(19(2)30(28-18)22-12-4-3-5-13-22)25-26(31)27-15-16-29(25)17-21-11-8-10-20-9-6-7-14-23(20)21/h3-14,25H,15-17H2,1-2H3,(H,27,31)/p+1/t25-/m0/s1