methyl-(1-methylpiperidin-1-ium-4-yl)-[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium Openeye Name: methyl-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: [2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C19H33N3O+2 MolecularWeight: 319.48482

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[NH+](C)C2CC[NH+](CC2)C

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)C[NH+](C)C2CC[NH+](CC2)C

InChI

InChI=1S/C19H31N3O/c1-16(9-10-17-7-5-4-6-8-17)20-19(23)15-22(3)18-11-13-21(2)14-12-18/h4-8,16,18H,9-15H2,1-3H3,(H,20,23)/p+2/t16-/m0/s1