(5-chloranyl-1H-indol-2-yl)methyl-[[(3S)-1-methyl-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium

Systemtic Name: (5-chloranyl-1H-indol-2-yl)methyl-[[(3S)-1-methyl-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: (5-chloro-1H-indol-2-yl)methyl-[[(3S)-3-hydroxy-1-methyl-2-oxo-3-piperidyl]methyl]ammonium CAS Name: (5-chloro-1H-indol-2-yl)methyl-[[(3S)-3-hydroxy-1-methyl-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: (5-chloro-1H-indol-2-yl)methyl-[[(3S)-3-hydroxy-1-methyl-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: (5-chloro-1H-indol-2-yl)methyl-[[(3S)-3-hydroxy-2-keto-1-methyl-3-piperidyl]methyl]ammonium Formula: C16H21ClN3O2+ MolecularWeight: 322.80984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1=O)(C[NH2+]CC2=CC3=C(N2)C=CC(=C3)Cl)O

Isomeric SMILES

CN1CCC[C@@](C1=O)(C[NH2+]CC2=CC3=C(N2)C=CC(=C3)Cl)O

InChI

InChI=1S/C16H20ClN3O2/c1-20-6-2-5-16(22,15(20)21)10-18-9-13-8-11-7-12(17)3-4-14(11)19-13/h3-4,7-8,18-19,22H,2,5-6,9-10H2,1H3/p+1/t16-/m0/s1