N-(phenylmethyl)-2-pyrrolidin-1-ium-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: N-(phenylmethyl)-2-pyrrolidin-1-ium-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-benzyl-2-pyrrolidin-1-ium-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(phenylmethyl)-2-(1-pyrrolidin-1-iumyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-benzyl-2-pyrrolidin-1-ium-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-benzyl-2-pyrrolidin-1-ium-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCCC4

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCCC4

InChI

InChI=1S/C20H25N3OS/c24-19(15-22-12-6-7-13-22)23(14-16-8-2-1-3-9-16)20-21-17-10-4-5-11-18(17)25-20/h1-3,8-9H,4-7,10-15H2/p+1