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

Systemtic Name: [1-(4-azaniumylpiperidin-1-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: [2-(4-azaniumyl-1-piperidyl)-1,1-dimethyl-2-oxo-ethyl]-benzyl-isopropyl-ammonium CAS Name: [1-(4-ammonio-1-piperidinyl)-2-methyl-1-oxopropan-2-yl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: [1-(4-azaniumylpiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-benzyl-propan-2-ylazanium Traditional Name: [2-(4-ammoniopiperidino)-2-keto-1,1-dimethyl-ethyl]-benzyl-isopropyl-ammonium Formula: C19H33N3O+2 MolecularWeight: 319.48482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O/c1-15(2)22(14-16-8-6-5-7-9-16)19(3,4)18(23)21-12-10-17(20)11-13-21/h5-9,15,17H,10-14,20H2,1-4H3/p+2