N-methyl-N-[3-(1-methylpiperazin-1-ium-1-yl)propyl]-2-propan-2-ylsulfanyl-aniline

Systemtic Name: N-methyl-N-[3-(1-methylpiperazin-1-ium-1-yl)propyl]-2-propan-2-ylsulfanyl-aniline Openeye Name: 2-isopropylsulfanyl-N-methyl-N-[3-(1-methylpiperazin-1-ium-1-yl)propyl]aniline CAS Name: N-methyl-N-[3-(1-methyl-1-piperazin-1-iumyl)propyl]-2-(propan-2-ylthio)aniline IUPAC Name: N-methyl-N-[3-(1-methylpiperazin-1-ium-1-yl)propyl]-2-propan-2-ylsulfanylaniline Traditional Name: [2-(isopropylthio)phenyl]-methyl-[3-(1-methylpiperazin-1-ium-1-yl)propyl]amine Formula: C18H32N3S+ MolecularWeight: 322.53178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1N(C)CCC[N+]2(CCNCC2)C

Isomeric SMILES

CC(C)SC1=CC=CC=C1N(C)CCC[N+]2(CCNCC2)C

InChI

InChI=1S/C18H32N3S/c1-16(2)22-18-9-6-5-8-17(18)20(3)12-7-13-21(4)14-10-19-11-15-21/h5-6,8-9,16,19H,7,10-15H2,1-4H3/q+1