N-[2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide

Systemtic Name: N-[2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidin-1-iumyl]methyl]-6-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]quinolin-6-yl]acetamide Traditional Name: N-[2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCCC(C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCC[C@@H](C3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N4O3/c1-16(29)25-18-6-8-22-17(11-18)4-5-21(27-22)14-28-10-2-3-20(13-28)26-19-7-9-23-24(12-19)31-15-30-23/h4-9,11-12,20,26H,2-3,10,13-15H2,1H3,(H,25,29)/p+1/t20-/m0/s1