(3S)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-N-phenyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-phenylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-(5-methyl-2-pyrazol-1-yl-benzyl)piperidin-1-ium-3-yl]-phenyl-amine Formula: C22H27N4+ MolecularWeight: 347.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCCC(C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCC[C@@H](C3)NC4=CC=CC=C4

InChI

InChI=1S/C22H26N4/c1-18-10-11-22(26-14-6-12-23-26)19(15-18)16-25-13-5-9-21(17-25)24-20-7-3-2-4-8-20/h2-4,6-8,10-12,14-15,21,24H,5,9,13,16-17H2,1H3/p+1/t21-/m0/s1