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

Systemtic Name: N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C19H31N4OS2+ MolecularWeight: 395.60564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CSCCSC4

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CSCCSC4

InChI

InChI=1S/C19H30N4OS2/c24-19(15-3-1-2-4-15)21-18-5-8-20-23(18)16-6-9-22(10-7-16)17-13-25-11-12-26-14-17/h5,8,15-17H,1-4,6-7,9-14H2,(H,21,24)/p+1