6-(1,3-benzodioxol-5-ylmethylamino)-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethylamino)-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Openeye Name: 6-(1,3-benzodioxol-5-ylmethylamino)-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide CAS Name: 6-(1,3-benzodioxol-5-ylmethylamino)-N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 6-(1,3-benzodioxol-5-ylmethylamino)-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Traditional Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(piperonylamino)nicotinamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=CN=C(C=C2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=CN=C(C=C2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N4O3/c1-26-11-3-2-4-18(26)9-10-23-22(27)17-6-8-21(25-14-17)24-13-16-5-7-19-20(12-16)29-15-28-19/h5-8,12,14,18H,2-4,9-11,13,15H2,1H3,(H,23,27)(H,24,25)/p+1/t18-/m0/s1