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

Systemtic Name: N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C23H33N4OS2+ MolecularWeight: 445.66432

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)C4CSCCSC4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)C4CSCCSC4

InChI

InChI=1S/C23H32N4OS2/c28-23(8-4-7-19-5-2-1-3-6-19)25-22-9-12-24-27(22)20-10-13-26(14-11-20)21-17-29-15-16-30-18-21/h1-3,5-6,9,12,20-21H,4,7-8,10-11,13-18H2,(H,25,28)/p+1