N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine

Systemtic Name: N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine Openeye Name: N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine CAS Name: N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-2-phenylethanamine IUPAC Name: N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenylethanamine Traditional Name: (5-methyl-1H-imidazol-3-ium-4-yl)methyl-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-amine Formula: C20H32N4+2 MolecularWeight: 328.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CN1)CN(CCC2=CC=CC=C2)CC3CCC[NH+](C3)C

Isomeric SMILES

CC1=C([NH+]=CN1)CN(CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C20H30N4/c1-17-20(22-16-21-17)15-24(12-10-18-7-4-3-5-8-18)14-19-9-6-11-23(2)13-19/h3-5,7-8,16,19H,6,9-15H2,1-2H3,(H,21,22)/p+2/t19-/m0/s1