2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-(p-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-(4-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C19H31N2OS2+ MolecularWeight: 367.59224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)C3CSCCSC3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)C3CSCCSC3

InChI

InChI=1S/C19H30N2OS2/c1-16-2-4-17(5-3-16)12-20-7-8-21(13-18(20)6-9-22)19-14-23-10-11-24-15-19/h2-5,18-19,22H,6-15H2,1H3/p+1/t18-/m0/s1