N-methyl-N-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]-10H-phenothiazin-3-amine

Systemtic Name: N-methyl-N-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]-10H-phenothiazin-3-amine Openeye Name: N-methyl-N-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]-10H-phenothiazin-3-amine CAS Name: N-methyl-N-[4-[4-(1-methyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]butyl]-10H-phenothiazin-3-amine IUPAC Name: N-methyl-N-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]-10H-phenothiazin-3-amine Traditional Name: methyl-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]-(10H-phenothiazin-3-yl)amine Formula: C28H30N4S+2 MolecularWeight: 454.6296

Click to see the large picture

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)NC5=CC=CC=C5S4

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCN(C)C3=CC4=C(C=C3)NC5=CC=CC=C5S4

InChI

InChI=1S/C28H29N4S/c1-30-17-11-22(12-18-30)23-13-19-32(20-14-23)16-6-5-15-31(2)24-9-10-26-28(21-24)33-27-8-4-3-7-25(27)29-26/h3-4,7-14,17-21H,5-6,15-16H2,1-2H3/q+1/p+1