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

Systemtic Name: [(3S)-3-methoxypiperidin-1-yl]-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Openeye Name: [(3S)-3-methoxy-1-piperidyl]-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone CAS Name: [(3S)-3-methoxy-1-piperidinyl]-[1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]methanone IUPAC Name: [(3S)-3-methoxypiperidin-1-yl]-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Traditional Name: [(3S)-3-methoxypiperidino]-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Formula: C26H43N3O2+2 MolecularWeight: 429.63852

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCN(C1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CO[C@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H41N3O2/c1-31-25-10-6-16-29(21-25)26(30)23-11-19-28(20-12-23)24-13-17-27(18-14-24)15-5-9-22-7-3-2-4-8-22/h2-4,7-8,23-25H,5-6,9-21H2,1H3/p+2/t25-/m0/s1