2-[[3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxyphenyl]carbonyl-methyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxyphenyl]carbonyl-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxybenzoyl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxybenzoyl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxybenzoyl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C22H37N3O2S2+2 MolecularWeight: 439.67808

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C)C(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)C3CSCCSC3

Isomeric SMILES

C[NH+](C)CCN(C)C(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)C3CSCCSC3

InChI

InChI=1S/C22H35N3O2S2/c1-23(2)11-12-24(3)22(26)18-5-4-6-21(15-18)27-20-7-9-25(10-8-20)19-16-28-13-14-29-17-19/h4-6,15,19-20H,7-14,16-17H2,1-3H3/p+2