N-methyl-N-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]thianthren-2-amine

Systemtic Name: N-methyl-N-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]thianthren-2-amine Openeye Name: N-methyl-N-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]thianthren-2-amine CAS Name: N-methyl-N-[4-[4-(1-methyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]butyl]-2-thianthrenamine IUPAC Name: N-methyl-N-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]thianthren-2-amine Traditional Name: methyl-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]-thianthren-2-yl-amine Formula: C28H29N3S2+2 MolecularWeight: 471.67996

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCN(C)C3=CC4=C(C=C3)SC5=CC=CC=C5S4

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCN(C)C3=CC4=C(C=C3)SC5=CC=CC=C5S4

InChI

InChI=1S/C28H29N3S2/c1-29-17-11-22(12-18-29)23-13-19-31(20-14-23)16-6-5-15-30(2)24-9-10-27-28(21-24)33-26-8-4-3-7-25(26)32-27/h3-4,7-14,17-21H,5-6,15-16H2,1-2H3/q+2