(2R)-1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-(1,4-dithiepan-6-yl)-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C19H25N4OS2+ MolecularWeight: 389.558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)C2CSCCSC2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@@H]([NH+](C1)C2CSCCSC2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C19H24N4OS2/c24-19(18-6-2-8-22(18)17-13-25-10-11-26-14-17)21-15-4-1-5-16(12-15)23-9-3-7-20-23/h1,3-5,7,9,12,17-18H,2,6,8,10-11,13-14H2,(H,21,24)/p+1/t18-/m1/s1