3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-benzyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-ium-4-amine IUPAC Name: 3-benzyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: (3-benzyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-ium-4-yl)amine Formula: C17H18N3S+ MolecularWeight: 296.40992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C[N+](=C3N)CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C[N+](=C3N)CC4=CC=CC=C4

InChI

InChI=1S/C17H17N3S/c18-16-15-13-8-4-5-9-14(13)21-17(15)19-11-20(16)10-12-6-2-1-3-7-12/h1-3,6-7,11,18H,4-5,8-10H2/p+1