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

Systemtic Name: [(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-(4-oxidanyl-4-phenyl-piperidin-1-yl)methanone Openeye Name: (4-hydroxy-4-phenyl-1-piperidyl)-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone CAS Name: (4-hydroxy-4-phenyl-1-piperidinyl)-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-hydroxy-4-phenylpiperidin-1-yl)-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-hydroxy-4-phenyl-piperidino)-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Formula: C23H37N3O2+2 MolecularWeight: 387.55878

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)O

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C23H35N3O2/c1-24-14-9-21(10-15-24)26-13-5-6-19(18-26)22(27)25-16-11-23(28,12-17-25)20-7-3-2-4-8-20/h2-4,7-8,19,21,28H,5-6,9-18H2,1H3/p+2/t19-/m0/s1