8-methyl-5-phenethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 8-methyl-5-phenethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 8-methyl-5-phenethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole CAS Name: 8-methyl-5-phenethyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-[1,2,4]triazino[5,6-b]indole IUPAC Name: 8-methyl-5-phenethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Traditional Name: 8-methyl-5-phenethyl-3-(2-piperidin-1-ium-1-ylethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C25H30N5S+ MolecularWeight: 432.6042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC[NH+]4CCCCC4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC[NH+]4CCCCC4)CCC5=CC=CC=C5

InChI

InChI=1S/C25H29N5S/c1-19-10-11-22-21(18-19)23-24(30(22)15-12-20-8-4-2-5-9-20)26-25(28-27-23)31-17-16-29-13-6-3-7-14-29/h2,4-5,8-11,18H,3,6-7,12-17H2,1H3/p+1