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

Systemtic Name: 3-methyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-4-amine Openeye Name: 3-methyl-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-1-ium-4-amine CAS Name: 3-methyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-4-amine IUPAC Name: 3-methyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-4-amine Traditional Name: (3-methyl-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-1-ium-4-yl)amine Formula: C18H19N2S+ MolecularWeight: 295.42186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=C2C(=C1N)C3=C(S2)CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C([NH+]=C2C(=C1N)C3=C(S2)CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C18H18N2S/c1-11-16(19)15-13-9-5-6-10-14(13)21-18(15)20-17(11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H2,19,20)/p+1