[(3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(1H-indol-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(1H-indol-4-ylmethyl)azanium Openeye Name: [(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-(1H-indol-4-ylmethyl)ammonium CAS Name: [(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-(1H-indol-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-(1H-indol-4-ylmethyl)azanium Traditional Name: [(3S)-3-hydroxy-2-keto-1-neopentyl-3-piperidyl]methyl-(1H-indol-4-ylmethyl)ammonium Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCC(C1=O)(C[NH2+]CC2=C3C=CNC3=CC=C2)O

Isomeric SMILES

CC(C)(C)CN1CCC[C@@](C1=O)(C[NH2+]CC2=C3C=CNC3=CC=C2)O

InChI

InChI=1S/C20H29N3O2/c1-19(2,3)14-23-11-5-9-20(25,18(23)24)13-21-12-15-6-4-7-17-16(15)8-10-22-17/h4,6-8,10,21-22,25H,5,9,11-14H2,1-3H3/p+1/t20-/m0/s1