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

Systemtic Name: 6-methyl-N-(pyridin-1-ium-3-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: 6-methyl-N-(pyridin-1-ium-3-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: 6-methyl-N-(3-pyridin-1-iumylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: 6-methyl-N-(pyridin-1-ium-3-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: (6-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)-(pyridin-1-ium-3-ylmethyl)amine Formula: C17H19N4S+ MolecularWeight: 311.42456

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C3=C(N=CN=C3S2)NCC4=C[NH+]=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)C3=C(N=CN=C3S2)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C17H18N4S/c1-11-4-5-14-13(7-11)15-16(20-10-21-17(15)22-14)19-9-12-3-2-6-18-8-12/h2-3,6,8,10-11H,4-5,7,9H2,1H3,(H,19,20,21)/p+1