(2R)-1-(1,4-dithiepan-6-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-(1,4-dithiepan-6-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-(1,4-dithiepan-6-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-(1,4-dithiepan-6-yl)-N-[4-(2-methyl-1-imidazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-(1,4-dithiepan-6-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-(1,4-dithiepan-6-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C20H27N4OS2+ MolecularWeight: 403.58458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)C3CCC[NH+]3C4CSCCSC4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+]3C4CSCCSC4

InChI

InChI=1S/C20H26N4OS2/c1-15-21-8-10-23(15)17-6-4-16(5-7-17)22-20(25)19-3-2-9-24(19)18-13-26-11-12-27-14-18/h4-8,10,18-19H,2-3,9,11-14H2,1H3,(H,22,25)/p+1/t19-/m1/s1