2-[4-(2-azanylethyl)-4-methyl-piperazin-4-ium-1-yl]-1-(4-propan-2-ylsulfanylphenyl)ethanol

Systemtic Name: 2-[4-(2-azanylethyl)-4-methyl-piperazin-4-ium-1-yl]-1-(4-propan-2-ylsulfanylphenyl)ethanol Openeye Name: 2-[4-(2-aminoethyl)-4-methyl-piperazin-4-ium-1-yl]-1-(4-isopropylsulfanylphenyl)ethanol CAS Name: 2-[4-(2-aminoethyl)-4-methyl-1-piperazin-4-iumyl]-1-[4-(propan-2-ylthio)phenyl]ethanol IUPAC Name: 2-[4-(2-aminoethyl)-4-methylpiperazin-4-ium-1-yl]-1-(4-propan-2-ylsulfanylphenyl)ethanol Traditional Name: 2-[4-(2-aminoethyl)-4-methyl-piperazin-4-ium-1-yl]-1-[4-(isopropylthio)phenyl]ethanol Formula: C18H32N3OS+ MolecularWeight: 338.53118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C(CN2CC[N+](CC2)(C)CCN)O

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C(CN2CC[N+](CC2)(C)CCN)O

InChI

InChI=1S/C18H32N3OS/c1-15(2)23-17-6-4-16(5-7-17)18(22)14-20-9-12-21(3,11-8-19)13-10-20/h4-7,15,18,22H,8-14,19H2,1-3H3/q+1