3-phenyl-1-(4-piperidin-1-ium-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-phenyl-1-(4-piperidin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-phenyl-1-(4-piperidin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: 3-phenyl-1-[4-(4-piperidin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-phenyl-1-(4-piperidin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-phenyl-1-(4-piperidin-1-ium-4-ylpiperazino)propan-1-one Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1N2CCN(CC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCC1N2CCN(CC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H27N3O/c22-18(7-6-16-4-2-1-3-5-16)21-14-12-20(13-15-21)17-8-10-19-11-9-17/h1-5,17,19H,6-15H2/p+1