N,N-dimethyl-3-(5-sulfanyl-4aH-pyrano[4,3-b]indol-5-ium-5-yl)propan-1-amine

Systemtic Name: N,N-dimethyl-3-(5-sulfanyl-4aH-pyrano[4,3-b]indol-5-ium-5-yl)propan-1-amine Openeye Name: N,N-dimethyl-3-(5-sulfanyl-4aH-pyrano[4,3-b]indol-5-ium-5-yl)propan-1-amine CAS Name: 3-(5-mercapto-4aH-pyrano[4,3-b]indol-5-ium-5-yl)-N,N-dimethyl-1-propanamine IUPAC Name: N,N-dimethyl-3-(5-sulfanyl-4aH-pyrano[4,3-b]indol-5-ium-5-yl)propan-1-amine Traditional Name: 3-(5-mercapto-4aH-pyran[4,3-b]indol-5-ium-5-yl)propyl-dimethyl-amine Formula: C16H21N2OS+ MolecularWeight: 289.41574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC[N+]1(C2C=COC=C2C3=CC=CC=C31)S

Isomeric SMILES

CN(C)CCC[N+]1(C2C=COC=C2C3=CC=CC=C31)S

InChI

InChI=1S/C16H21N2OS/c1-17(2)9-5-10-18(20)15-7-4-3-6-13(15)14-12-19-11-8-16(14)18/h3-4,6-8,11-12,16,20H,5,9-10H2,1-2H3/q+1