1,3-benzodioxol-5-yl-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-(5-isoquinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]methanone Formula: C23H23N2O3+ MolecularWeight: 375.44032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=C2C=CN=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=C2C=CN=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O3/c26-23(16-6-7-21-22(11-16)28-15-27-21)19-5-2-10-25(14-19)13-18-4-1-3-17-12-24-9-8-20(17)18/h1,3-4,6-9,11-12,19H,2,5,10,13-15H2/p+1/t19-/m0/s1