9-ethyl-3-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]carbazole

Systemtic Name: 9-ethyl-3-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]carbazole Openeye Name: 9-ethyl-3-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]carbazole CAS Name: 9-ethyl-3-[[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-1-iumyl]methyl]carbazole IUPAC Name: 9-ethyl-3-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]carbazole Traditional Name: 9-ethyl-3-[[4-[4-(methylthio)benzyl]piperazin-1-ium-1-yl]methyl]carbazole Formula: C27H32N3S+ MolecularWeight: 430.62808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)SC)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)SC)C5=CC=CC=C51

InChI

InChI=1S/C27H31N3S/c1-3-30-26-7-5-4-6-24(26)25-18-22(10-13-27(25)30)20-29-16-14-28(15-17-29)19-21-8-11-23(31-2)12-9-21/h4-13,18H,3,14-17,19-20H2,1-2H3/p+1