3-chloranyl-4-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide

Systemtic Name: 3-chloranyl-4-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide Openeye Name: 3-chloro-4-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide CAS Name: 3-chloro-4-[[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]oxy]-N-(2-methoxyethyl)benzamide IUPAC Name: 3-chloro-4-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide Traditional Name: 3-chloro-4-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide Formula: C20H30ClN2O3S2+ MolecularWeight: 446.0468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN2O3S2/c1-25-9-6-22-20(24)15-2-3-19(18(21)12-15)26-17-4-7-23(8-5-17)16-13-27-10-11-28-14-16/h2-3,12,16-17H,4-11,13-14H2,1H3,(H,22,24)/p+1