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

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]azanium Openeye Name: methyl-[(1S)-1-methyl-2-[[(1R)-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)-[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C20H35N3O+2 MolecularWeight: 333.5114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O/c1-16(10-11-18-8-6-5-7-9-18)21-20(24)17(2)23(4)19-12-14-22(3)15-13-19/h5-9,16-17,19H,10-15H2,1-4H3,(H,21,24)/p+2/t16-,17+/m1/s1