[(3S)-3-oxidanylpiperidin-1-yl]-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-4-yl]methanone

Systemtic Name: [(3S)-3-oxidanylpiperidin-1-yl]-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-4-yl]methanone Openeye Name: [(3S)-3-hydroxy-1-piperidyl]-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-4-piperidyl]methanone CAS Name: [(3S)-3-hydroxy-1-piperidinyl]-[1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinyl]methanone IUPAC Name: [(3S)-3-hydroxypiperidin-1-yl]-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-4-yl]methanone Traditional Name: [(3S)-3-hydroxypiperidino]-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-4-piperidyl]methanone Formula: C25H40N3O2+ MolecularWeight: 414.604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4)O

InChI

InChI=1S/C25H39N3O2/c29-24-9-5-15-28(20-24)25(30)22-10-18-27(19-11-22)23-12-16-26(17-13-23)14-4-8-21-6-2-1-3-7-21/h1-3,6-7,22-24,29H,4-5,8-20H2/p+1/t24-/m0/s1