N-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine

Systemtic Name: N-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine Openeye Name: N-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine CAS Name: N-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-2-phenylethanamine IUPAC Name: N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenylethanamine Traditional Name: (1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-amine Formula: C24H39N4+ MolecularWeight: 383.59326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)CN(CCC2=CC=CC=C2)CC3CCC[NH+](C3)C

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)CN(CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C24H38N4/c1-19(2)28-21(4)24(20(3)25-28)18-27(15-13-22-10-7-6-8-11-22)17-23-12-9-14-26(5)16-23/h6-8,10-11,19,23H,9,12-18H2,1-5H3/p+1/t23-/m0/s1