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

Systemtic Name: [1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-(1-piperidyl)methanone CAS Name: [1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-piperidino-methanone Formula: C25H41N3O+2 MolecularWeight: 399.61254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H39N3O/c29-25(28-16-5-2-6-17-28)23-11-20-27(21-12-23)24-13-18-26(19-14-24)15-7-10-22-8-3-1-4-9-22/h1,3-4,8-9,23-24H,2,5-7,10-21H2/p+2