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

Systemtic Name: N-[(1-ethylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine Openeye Name: N-[(1-ethylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine CAS Name: N-[(1-ethyl-4-pyrazolyl)methyl]-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-2-phenylethanamine IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenylethanamine Traditional Name: (1-ethylpyrazol-4-yl)methyl-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-amine Formula: C21H33N4+ MolecularWeight: 341.51352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4/c1-3-25-18-21(14-22-25)17-24(13-11-19-8-5-4-6-9-19)16-20-10-7-12-23(2)15-20/h4-6,8-9,14,18,20H,3,7,10-13,15-17H2,1-2H3/p+1/t20-/m0/s1