methyl-(1-methylpiperidin-1-ium-4-yl)-[[(3S)-3-oxidanyl-2-oxidanylidene-1-phenethyl-piperidin-3-yl]methyl]azanium

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[(3S)-3-oxidanyl-2-oxidanylidene-1-phenethyl-piperidin-3-yl]methyl]azanium Openeye Name: [(3S)-3-hydroxy-2-oxo-1-phenethyl-3-piperidyl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [(3S)-3-hydroxy-2-oxo-1-phenethyl-3-piperidinyl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(3S)-3-hydroxy-2-oxo-1-phenethylpiperidin-3-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [(3S)-3-hydroxy-2-keto-1-phenethyl-3-piperidyl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C21H35N3O2+2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2(CCCN(C2=O)CCC3=CC=CC=C3)O

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)C[C@]2(CCCN(C2=O)CCC3=CC=CC=C3)O

InChI

InChI=1S/C21H33N3O2/c1-22-14-10-19(11-15-22)23(2)17-21(26)12-6-13-24(20(21)25)16-9-18-7-4-3-5-8-18/h3-5,7-8,19,26H,6,9-17H2,1-2H3/p+2/t21-/m0/s1