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

Systemtic Name: [1-(4-azaniumylpiperidin-1-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-ethyl-(phenylmethyl)azanium Openeye Name: [2-(4-azaniumyl-1-piperidyl)-1,1-dimethyl-2-oxo-ethyl]-benzyl-ethyl-ammonium CAS Name: [1-(4-ammonio-1-piperidinyl)-2-methyl-1-oxopropan-2-yl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [1-(4-azaniumylpiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-benzyl-ethylazanium Traditional Name: [2-(4-ammoniopiperidino)-2-keto-1,1-dimethyl-ethyl]-benzyl-ethyl-ammonium Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C(C)(C)C(=O)N2CCC(CC2)[NH3+]

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C(C)(C)C(=O)N2CCC(CC2)[NH3+]

InChI

InChI=1S/C18H29N3O/c1-4-21(14-15-8-6-5-7-9-15)18(2,3)17(22)20-12-10-16(19)11-13-20/h5-9,16H,4,10-14,19H2,1-3H3/p+2