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

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chlorobenzyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propionamide Formula: C20H30ClN2OS2+ MolecularWeight: 414.048

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CC(=CC=C2)Cl)C3CSCCSC3

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NCC2=CC(=CC=C2)Cl)C3CSCCSC3

InChI

InChI=1S/C20H29ClN2OS2/c21-18-3-1-2-17(12-18)13-22-20(24)5-4-16-6-8-23(9-7-16)19-14-25-10-11-26-15-19/h1-3,12,16,19H,4-11,13-15H2,(H,22,24)/p+1