1-[4-[4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(1-propyl-4-piperidin-1-iumyl)-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H33N3O+2 MolecularWeight: 331.49552

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C20H31N3O/c1-3-10-21-11-8-20(9-12-21)23-15-13-22(14-16-23)19-6-4-18(5-7-19)17(2)24/h4-7,20H,3,8-16H2,1-2H3/p+2