1-[4-[(3S)-3-phenylazanylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[(3S)-3-phenylazanylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-anilinopiperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-anilino-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-anilinopiperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-anilinopiperidin-1-ium-1-yl]piperidino]ethanone Formula: C18H28N3O+ MolecularWeight: 302.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH+]2CCCC(C2)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)NC3=CC=CC=C3

InChI

InChI=1S/C18H27N3O/c1-15(22)20-12-9-18(10-13-20)21-11-5-8-17(14-21)19-16-6-3-2-4-7-16/h2-4,6-7,17-19H,5,8-14H2,1H3/p+1/t17-/m0/s1