3-[1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-(1-oxidopyridin-1-ium-4-carbonyl)-3-piperidyl]propan-1-one CAS Name: 3-[1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-(1-oxidopyridin-1-ium-4-carbonyl)-3-piperidyl]propan-1-one Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=[N+](C=C2)[O-])CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=[N+](C=C2)[O-])CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3/c30-24(27-17-15-26(16-18-27)19-21-5-2-1-3-6-21)9-8-22-7-4-12-28(20-22)25(31)23-10-13-29(32)14-11-23/h1-3,5-6,10-11,13-14,22H,4,7-9,12,15-20H2