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

Systemtic Name: N,N-dimethyl-3-(5-sulfanyl-4aH-pyrano[4,3-b]indol-5-ium-5-yl)propan-1-amine hydrochloride Openeye Name: N,N-dimethyl-3-(5-sulfanyl-4aH-pyrano[4,3-b]indol-5-ium-5-yl)propan-1-amine hydrochloride CAS Name: 3-(5-mercapto-4aH-pyrano[4,3-b]indol-5-ium-5-yl)-N,N-dimethyl-1-propanamine hydrochloride IUPAC Name: N,N-dimethyl-3-(5-sulfanyl-4aH-pyrano[4,3-b]indol-5-ium-5-yl)propan-1-amine hydrochloride Traditional Name: 3-(5-mercapto-4aH-pyran[4,3-b]indol-5-ium-5-yl)propyl-dimethyl-amine hydrochloride Formula: C16H22ClN2OS+ MolecularWeight: 325.87668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N2OS.ClH/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;1H/q+1;