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

Systemtic Name: [(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone Openeye Name: [(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-(4-phenoxyphenyl)methanone CAS Name: [(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]-(4-phenoxyphenyl)methanone IUPAC Name: [(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone Traditional Name: [(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-(4-phenoxyphenyl)methanone Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O2/c1-25-16-13-21(14-17-25)26-15-5-6-20(18-26)24(27)19-9-11-23(12-10-19)28-22-7-3-2-4-8-22/h2-4,7-12,20-21H,5-6,13-18H2,1H3/p+1/t20-/m0/s1