1,3-benzodioxol-5-yl-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(4-phenylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(4-phenyl-2-thiazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(4-phenylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C23H23N2O3S+ MolecularWeight: 407.50532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC(=CS2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC(=CS2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O3S/c26-23(17-8-9-20-21(11-17)28-15-27-20)18-7-4-10-25(12-18)13-22-24-19(14-29-22)16-5-2-1-3-6-16/h1-3,5-6,8-9,11,14,18H,4,7,10,12-13,15H2/p+1/t18-/m0/s1