3-methyl-1-[4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]piperidin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]piperidin-1-yl]butan-1-one Openeye Name: 1-[4-(4-benzylpiperazine-1,4-diium-1-yl)-1-piperidyl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[4-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-1-piperidinyl]-1-butanone IUPAC Name: 1-[4-(4-benzylpiperazine-1,4-diium-1-yl)piperidin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(4-benzylpiperazine-1,4-diium-1-yl)piperidino]-3-methyl-butan-1-one Formula: C21H35N3O+2 MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O/c1-18(2)16-21(25)24-10-8-20(9-11-24)23-14-12-22(13-15-23)17-19-6-4-3-5-7-19/h3-7,18,20H,8-17H2,1-2H3/p+2