(3S)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: (3S)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C23H28N3+ MolecularWeight: 346.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1)C2CCC[NH+](C2)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(NN=C1)[C@H]2CCC[NH+](C2)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3/c1-18-15-24-25-23(18)21-13-8-14-26(16-21)17-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,15,21-22H,8,13-14,16-17H2,1H3,(H,24,25)/p+1/t21-/m0/s1