2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(5-methyl-2-furanyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C17H29N2O2S2+ MolecularWeight: 357.55436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2CCO)C3CSCCSC3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(C[C@@H]2CCO)C3CSCCSC3

InChI

InChI=1S/C17H28N2O2S2/c1-14-2-3-17(21-14)11-19-6-5-18(10-15(19)4-7-20)16-12-22-8-9-23-13-16/h2-3,15-16,20H,4-13H2,1H3/p+1/t15-/m0/s1