(3S)-3-phenyl-5-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)imino-cyclohexan-1-one

Systemtic Name: (3S)-3-phenyl-5-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)imino-cyclohexan-1-one Openeye Name: (3S)-3-phenyl-5-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)imino-cyclohexanone CAS Name: (3S)-3-phenyl-5-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)imino]-1-cyclohexanone IUPAC Name: (3S)-3-phenyl-5-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminocyclohexan-1-one Traditional Name: (3S)-3-phenyl-5-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)imino-cyclohexanone Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N=C2CC(CC(=O)C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N=C2C[C@@H](CC(=O)C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H30N2O/c1-20(2)13-18(14-21(3,4)23-20)22-17-10-16(11-19(24)12-17)15-8-6-5-7-9-15/h5-9,16,18,23H,10-14H2,1-4H3/p+1/t16-/m0/s1