N-(3-chloranyl-4-methoxy-phenyl)-3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]propionamide Formula: C20H30ClN2O2S2+ MolecularWeight: 430.0474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC2CCC[NH+](C2)C3CSCCSC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC[C@H]2CCC[NH+](C2)C3CSCCSC3)Cl

InChI

InChI=1S/C20H29ClN2O2S2/c1-25-19-6-5-16(11-18(19)21)22-20(24)7-4-15-3-2-8-23(12-15)17-13-26-9-10-27-14-17/h5-6,11,15,17H,2-4,7-10,12-14H2,1H3,(H,22,24)/p+1/t15-/m1/s1