[(3R)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(2-methyl-1H-indol-5-yl)methyl]azanium

Systemtic Name: [(3R)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(2-methyl-1H-indol-5-yl)methyl]azanium Openeye Name: [(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-[(2-methyl-1H-indol-5-yl)methyl]ammonium CAS Name: [(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-[(2-methyl-1H-indol-5-yl)methyl]ammonium IUPAC Name: [(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-[(2-methyl-1H-indol-5-yl)methyl]azanium Traditional Name: [(3R)-3-hydroxy-2-keto-1-neopentyl-3-piperidyl]methyl-[(2-methyl-1H-indol-5-yl)methyl]ammonium Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2)C[NH2+]CC3(CCCN(C3=O)CC(C)(C)C)O

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)C[NH2+]C[C@@]3(CCCN(C3=O)CC(C)(C)C)O

InChI

InChI=1S/C21H31N3O2/c1-15-10-17-11-16(6-7-18(17)23-15)12-22-13-21(26)8-5-9-24(19(21)25)14-20(2,3)4/h6-7,10-11,22-23,26H,5,8-9,12-14H2,1-4H3/p+1/t21-/m1/s1