1-(4-phenylpiperazin-1-yl)-3-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-3-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(4-phenylpiperazin-1-yl)-3-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(4-phenyl-1-piperazinyl)-3-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-3-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-phenylpiperazino)-3-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]propan-1-one Formula: C27H38N3O+ MolecularWeight: 420.61012

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O/c31-27(30-22-20-29(21-23-30)26-11-5-2-6-12-26)14-13-25-15-18-28(19-16-25)17-7-10-24-8-3-1-4-9-24/h1-6,8-9,11-12,25H,7,10,13-23H2/p+1