1-[(2,5-dimethylphenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-4-[3-(1-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-[(2,5-dimethylphenyl)methyl]-4-[3-(1-naphthalenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: 1-(2,5-dimethylbenzyl)-4-[3-(1-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C27H30N3+ MolecularWeight: 396.5472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)C3=CC(=NN3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)C3=CC(=NN3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H29N3/c1-19-10-11-20(2)23(16-19)18-30-14-12-22(13-15-30)26-17-27(29-28-26)25-9-5-7-21-6-3-4-8-24(21)25/h3-11,16-17,22H,12-15,18H2,1-2H3,(H,28,29)/p+1