[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

Systemtic Name: [(3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone Openeye Name: [(3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-piperidyl]-(4-phenoxyphenyl)methanone CAS Name: [(3S)-1-(1-ethyl-4-piperidin-1-iumyl)-3-piperidinyl]-(4-phenoxyphenyl)methanone IUPAC Name: [(3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone Traditional Name: [(3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-piperidyl]-(4-phenoxyphenyl)methanone Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O2/c1-2-26-17-14-22(15-18-26)27-16-6-7-21(19-27)25(28)20-10-12-24(13-11-20)29-23-8-4-3-5-9-23/h3-5,8-13,21-22H,2,6-7,14-19H2,1H3/p+1/t21-/m0/s1