1-[4-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-amino]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-amino]piperidin-1-yl]ethanone Openeye Name: 1-[4-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-amino]-1-piperidyl]ethanone CAS Name: 1-[4-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl-phenethylamino]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethylamino]piperidin-1-yl]ethanone Traditional Name: 1-[4-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-amino]piperidino]ethanone Formula: C22H36N3O+ MolecularWeight: 358.54074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)N(CCC2=CC=CC=C2)CC3CCC[NH+](C3)C

Isomeric SMILES

CC(=O)N1CCC(CC1)N(CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C22H35N3O/c1-19(26)24-15-11-22(12-16-24)25(14-10-20-7-4-3-5-8-20)18-21-9-6-13-23(2)17-21/h3-5,7-8,21-22H,6,9-18H2,1-2H3/p+1/t21-/m0/s1