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

Systemtic Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-m-anisylpiperidin-1-ium-3-yl]-(5-methyl-2-pyrazol-1-yl-benzyl)amine Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=N2)CNC3CCC[NH+](C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)CN[C@H]3CCC[NH+](C3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H30N4O/c1-19-9-10-24(28-13-5-11-26-28)21(14-19)16-25-22-7-4-12-27(18-22)17-20-6-3-8-23(15-20)29-2/h3,5-6,8-11,13-15,22,25H,4,7,12,16-18H2,1-2H3/p+1/t22-/m0/s1