N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-2-phenyl-ethanamine

Systemtic Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-2-phenyl-ethanamine Openeye Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-2-phenyl-ethanamine CAS Name: N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-N-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-2-phenylethanamine IUPAC Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-2-phenylethanamine Traditional Name: [(3R)-1-methylpiperidin-1-ium-3-yl]methyl-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-phenethyl-amine Formula: C23H37N4+ MolecularWeight: 369.56668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CN(CCC2=CC=CC=C2)CC3CCC[NH+](C3)C

Isomeric SMILES

CCCN1C=C(C(=N1)C)CN(CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C23H36N4/c1-4-13-27-19-23(20(2)24-27)18-26(15-12-21-9-6-5-7-10-21)17-22-11-8-14-25(3)16-22/h5-7,9-10,19,22H,4,8,11-18H2,1-3H3/p+1/t22-/m0/s1