N-(2,4-dimethoxyphenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2,4-dimethoxyphenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propanamide CAS Name: N-(2,4-dimethoxyphenyl)-3-[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2,4-dimethoxyphenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2,4-dimethoxyphenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propionamide Formula: C21H33N2O3S2+ MolecularWeight: 425.62832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)C3CSCCSC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)C3CSCCSC3)OC

InChI

InChI=1S/C21H32N2O3S2/c1-25-18-4-5-19(20(13-18)26-2)22-21(24)6-3-16-7-9-23(10-8-16)17-14-27-11-12-28-15-17/h4-5,13,16-17H,3,6-12,14-15H2,1-2H3,(H,22,24)/p+1