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

Systemtic Name: 1-[4-[(3S)-3-(4-phenoxyphenyl)carbonylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(4-phenoxybenzoyl)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-[oxo-(4-phenoxyphenyl)methyl]-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(4-phenoxybenzoyl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-(4-phenoxybenzoyl)piperidin-1-ium-1-yl]piperidino]ethanone Formula: C25H31N2O3+ MolecularWeight: 407.52524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O3/c1-19(28)26-16-13-22(14-17-26)27-15-5-6-21(18-27)25(29)20-9-11-24(12-10-20)30-23-7-3-2-4-8-23/h2-4,7-12,21-22H,5-6,13-18H2,1H3/p+1/t21-/m0/s1