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

Systemtic Name: 5-phenethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-phenethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole CAS Name: 5-phenethyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-phenethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-phenethyl-3-(2-piperidin-1-ium-1-ylethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C24H28N5S+ MolecularWeight: 418.57762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC3=C(C4=CC=CC=C4N3CCC5=CC=CC=C5)N=N2

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC3=C(C4=CC=CC=C4N3CCC5=CC=CC=C5)N=N2

InChI

InChI=1S/C24H27N5S/c1-3-9-19(10-4-1)13-16-29-21-12-6-5-11-20(21)22-23(29)25-24(27-26-22)30-18-17-28-14-7-2-8-15-28/h1,3-6,9-12H,2,7-8,13-18H2/p+1