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

Systemtic Name: [(3S)-1-(cyclohexylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(1H-indol-4-ylmethyl)azanium Openeye Name: [(3S)-1-(cyclohexylmethyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-(1H-indol-4-ylmethyl)ammonium CAS Name: [(3S)-1-(cyclohexylmethyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-(1H-indol-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-(1H-indol-4-ylmethyl)azanium Traditional Name: [(3S)-1-(cyclohexylmethyl)-3-hydroxy-2-keto-3-piperidyl]methyl-(1H-indol-4-ylmethyl)ammonium Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCCC(C2=O)(C[NH2+]CC3=C4C=CNC4=CC=C3)O

Isomeric SMILES

C1CCC(CC1)CN2CCC[C@@](C2=O)(C[NH2+]CC3=C4C=CNC4=CC=C3)O

InChI

InChI=1S/C22H31N3O2/c26-21-22(27,11-5-13-25(21)15-17-6-2-1-3-7-17)16-23-14-18-8-4-9-20-19(18)10-12-24-20/h4,8-10,12,17,23-24,27H,1-3,5-7,11,13-16H2/p+1/t22-/m0/s1