2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-pyrrolidinophenyl)acetamide Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H28N4OS/c29-23(25-19-9-11-20(12-10-19)28-14-3-4-15-28)17-27-13-5-6-18(16-27)24-26-21-7-1-2-8-22(21)30-24/h1-2,7-12,18H,3-6,13-17H2,(H,25,29)/p+1/t18-/m0/s1