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

Systemtic Name: 1-[4-[(3S)-3-(4-phenylphenyl)carbonylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(4-phenylbenzoyl)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-[oxo-(4-phenylphenyl)methyl]-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(4-phenylbenzoyl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-(4-phenylbenzoyl)piperidin-1-ium-1-yl]piperidino]ethanone Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O2/c1-19(28)26-16-13-24(14-17-26)27-15-5-8-23(18-27)25(29)22-11-9-21(10-12-22)20-6-3-2-4-7-20/h2-4,6-7,9-12,23-24H,5,8,13-18H2,1H3/p+1/t23-/m0/s1