3-methyl-1-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-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)N1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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