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

Systemtic Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine Openeye Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine CAS Name: N-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-2-phenylethanamine IUPAC Name: N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenylethanamine Traditional Name: (1-ethyl-3-methyl-pyrazol-4-yl)methyl-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-amine Formula: C22H35N4+ MolecularWeight: 355.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN(CCC2=CC=CC=C2)CC3CCC[NH+](C3)C

Isomeric SMILES

CCN1C=C(C(=N1)C)CN(CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C22H34N4/c1-4-26-18-22(19(2)23-26)17-25(14-12-20-9-6-5-7-10-20)16-21-11-8-13-24(3)15-21/h5-7,9-10,18,21H,4,8,11-17H2,1-3H3/p+1/t21-/m0/s1