diethyl-[(4S)-4-[[(1R)-1-(4-methylsulfanylphenyl)ethyl]azaniumyl]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[[(1R)-1-(4-methylsulfanylphenyl)ethyl]azaniumyl]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[(1R)-1-(4-methylsulfanylphenyl)ethyl]ammonio]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[(1R)-1-[4-(methylthio)phenyl]ethyl]ammonio]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[(1R)-1-(4-methylsulfanylphenyl)ethyl]azaniumyl]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[(1R)-1-[4-(methylthio)phenyl]ethyl]ammonio]pentyl]ammonium Formula: C18H34N2S+2 MolecularWeight: 310.54096

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]C(C)C1=CC=C(C=C1)SC

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C1=CC=C(C=C1)SC

InChI

InChI=1S/C18H32N2S/c1-6-20(7-2)14-8-9-15(3)19-16(4)17-10-12-18(21-5)13-11-17/h10-13,15-16,19H,6-9,14H2,1-5H3/p+2/t15-,16+/m0/s1