1-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(1,4-dithiepan-6-yl)-4-piperidyl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-(1,4-dithiepan-6-yl)-4-piperidinyl]-N-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(1,4-dithiepan-6-yl)-4-piperidyl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C22H35N4OS2+ MolecularWeight: 435.6695

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CN=CC=C2)C3CCN(CC3)C4CSCCSC4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CN=CC=C2)C3CCN(CC3)C4CSCCSC4

InChI

InChI=1S/C22H34N4OS2/c27-22(24-15-18-2-1-7-23-14-18)19-3-8-25(9-4-19)20-5-10-26(11-6-20)21-16-28-12-13-29-17-21/h1-2,7,14,19-21H,3-6,8-13,15-17H2,(H,24,27)/p+1