1-[4-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(4-isopropylanilino)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-(4-propan-2-ylanilino)-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-cumidinopiperidin-1-ium-1-yl]piperidino]ethanone Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)C3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H33N3O/c1-16(2)18-6-8-19(9-7-18)22-20-5-4-12-24(15-20)21-10-13-23(14-11-21)17(3)25/h6-9,16,20-22H,4-5,10-15H2,1-3H3/p+1/t20-/m0/s1