2-(3-piperazin-4-ium-1-ylphenyl)-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-(3-piperazin-4-ium-1-ylphenyl)-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(3-piperazin-4-ium-1-ylphenyl)-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[3-(1-piperazin-4-iumyl)phenyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(3-piperazin-4-ium-1-ylphenyl)-1-pyrrolidin-1-ylethanone Traditional Name: 2-(3-piperazin-4-ium-1-ylphenyl)-1-pyrrolidino-ethanone Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC2=CC(=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

C1CCN(C1)C(=O)CC2=CC(=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C16H23N3O/c20-16(19-8-1-2-9-19)13-14-4-3-5-15(12-14)18-10-6-17-7-11-18/h3-5,12,17H,1-2,6-11,13H2/p+1