[(2R)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [(2R)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-ethyl-(phenylmethyl)azanium Openeye Name: [(1R)-1-(4-azaniumylpiperidine-1-carbonyl)-2-methyl-propyl]-benzyl-ethyl-ammonium CAS Name: [(2R)-1-(4-ammonio-1-piperidinyl)-3-methyl-1-oxobutan-2-yl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [(2R)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-benzyl-ethylazanium Traditional Name: [(1R)-1-(4-ammoniopiperidine-1-carbonyl)-2-methyl-propyl]-benzyl-ethyl-ammonium Formula: C19H33N3O+2 MolecularWeight: 319.48482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O/c1-4-21(14-16-8-6-5-7-9-16)18(15(2)3)19(23)22-12-10-17(20)11-13-22/h5-9,15,17-18H,4,10-14,20H2,1-3H3/p+2/t18-/m1/s1