3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propionamide Formula: C20H39N3OS2+2 MolecularWeight: 401.67316

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CCC2CCC[NH+](C2)C3CSCCSC3

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)CC[C@H]2CCC[NH+](C2)C3CSCCSC3

InChI

InChI=1S/C20H37N3OS2/c1-21-10-7-18(8-11-21)22(2)20(24)6-5-17-4-3-9-23(14-17)19-15-25-12-13-26-16-19/h17-19H,3-16H2,1-2H3/p+2/t17-/m1/s1