2-phenyl-3-piperazin-1-yl-1-(1-piperidin-1-ylpiperidin-1-ium-1-yl)propan-1-one

Systemtic Name: 2-phenyl-3-piperazin-1-yl-1-(1-piperidin-1-ylpiperidin-1-ium-1-yl)propan-1-one Openeye Name: 2-phenyl-3-piperazin-1-yl-1-[1-(1-piperidyl)piperidin-1-ium-1-yl]propan-1-one CAS Name: 2-phenyl-3-(1-piperazinyl)-1-[1-(1-piperidinyl)-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 2-phenyl-3-piperazin-1-yl-1-(1-piperidin-1-ylpiperidin-1-ium-1-yl)propan-1-one Traditional Name: 2-phenyl-3-piperazino-1-(1-piperidinopiperidin-1-ium-1-yl)propan-1-one Formula: C23H37N4O+ MolecularWeight: 385.56608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)[N+]2(CCCCC2)C(=O)C(CN3CCNCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)[N+]2(CCCCC2)C(=O)C(CN3CCNCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H37N4O/c28-23(27(18-8-3-9-19-27)26-14-6-2-7-15-26)22(21-10-4-1-5-11-21)20-25-16-12-24-13-17-25/h1,4-5,10-11,22,24H,2-3,6-9,12-20H2/q+1