N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C19H26N5OS2+ MolecularWeight: 404.57264

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CN=CC=C3)C4CSCCSC4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CN=CC=C3)C4CSCCSC4

InChI

InChI=1S/C19H25N5OS2/c25-19(15-2-1-6-20-12-15)22-18-3-7-21-24(18)16-4-8-23(9-5-16)17-13-26-10-11-27-14-17/h1-3,6-7,12,16-17H,4-5,8-11,13-14H2,(H,22,25)/p+1