3-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]pyrazinamide Formula: C23H22N5OS+ MolecularWeight: 416.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

InChI

InChI=1S/C23H21N5OS/c29-22(26-17-10-13-28(15-17)14-16-6-2-1-3-7-16)20-21(25-12-11-24-20)23-27-18-8-4-5-9-19(18)30-23/h1-9,11-12,17H,10,13-15H2,(H,26,29)/p+1/t17-/m1/s1