[1-(4-azaniumylpiperidin-1-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [1-(4-azaniumylpiperidin-1-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: [2-(4-azaniumyl-1-piperidyl)-1,1-dimethyl-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [1-(4-ammonio-1-piperidinyl)-2-methyl-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: [1-(4-azaniumylpiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-benzyl-methylazanium Traditional Name: [2-(4-ammoniopiperidino)-2-keto-1,1-dimethyl-ethyl]-benzyl-methyl-ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCC(CC1)[NH3+])[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)N1CCC(CC1)[NH3+])[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N3O/c1-17(2,16(21)20-11-9-15(18)10-12-20)19(3)13-14-7-5-4-6-8-14/h4-8,15H,9-13,18H2,1-3H3/p+2