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

Systemtic Name: 1-[4-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-[methyl(phenethyl)amino]-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-ium-1-yl]piperidino]ethanone Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH+]2CCCC(C2)N(C)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)N(C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O/c1-18(25)23-15-11-20(12-16-23)24-13-6-9-21(17-24)22(2)14-10-19-7-4-3-5-8-19/h3-5,7-8,20-21H,6,9-17H2,1-2H3/p+1/t21-/m0/s1