2-methyl-2-(4-methylpiperazin-1-ium-1-yl)-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine

Systemtic Name: 2-methyl-2-(4-methylpiperazin-1-ium-1-yl)-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine Openeye Name: 2-methyl-2-(4-methylpiperazin-1-ium-1-yl)-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine CAS Name: 2-methyl-2-(4-methyl-1-piperazin-1-iumyl)-N-[[4-(methylthio)phenyl]methyl]-1-propanamine IUPAC Name: 2-methyl-2-(4-methylpiperazin-1-ium-1-yl)-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine Traditional Name: [2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]-[4-(methylthio)benzyl]amine Formula: C17H30N3S+ MolecularWeight: 308.5052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNCC1=CC=C(C=C1)SC)[NH+]2CCN(CC2)C

Isomeric SMILES

CC(C)(CNCC1=CC=C(C=C1)SC)[NH+]2CCN(CC2)C

InChI

InChI=1S/C17H29N3S/c1-17(2,20-11-9-19(3)10-12-20)14-18-13-15-5-7-16(21-4)8-6-15/h5-8,18H,9-14H2,1-4H3/p+1