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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-3-19(13-15-7-5-4-6-8-15)14(2)17(21)20-11-9-16(18)10-12-20/h4-8,14,16H,3,9-13,18H2,1-2H3/p+2/t14-/m1/s1