2-phenyl-3-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-4-amine

Systemtic Name: 2-phenyl-3-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-4-amine Openeye Name: 2-phenyl-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-1-ium-4-amine CAS Name: 2-phenyl-3-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-4-amine IUPAC Name: 2-phenyl-3-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-4-amine Traditional Name: (2-phenyl-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-1-ium-4-yl)amine Formula: C20H23N2S+ MolecularWeight: 323.47502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C([NH+]=C2C(=C1N)C3=C(S2)CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=C([NH+]=C2C(=C1N)C3=C(S2)CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N2S/c1-2-8-15-18(21)17-14-11-6-7-12-16(14)23-20(17)22-19(15)13-9-4-3-5-10-13/h3-5,9-10H,2,6-8,11-12H2,1H3,(H2,21,22)/p+1