N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1-isopropylpiperidin-1-ium-4-ylidene)amino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(1-propan-2-yl-4-piperidin-1-iumylidene)amino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1-isopropylpiperidin-1-ium-4-ylidene)amino]-piperonylamide Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(=NNC(=O)C2=CC3=C(C=C2)OCO3)CC1

Isomeric SMILES

CC(C)[NH+]1CCC(=NNC(=O)C2=CC3=C(C=C2)OCO3)CC1

InChI

InChI=1S/C16H21N3O3/c1-11(2)19-7-5-13(6-8-19)17-18-16(20)12-3-4-14-15(9-12)22-10-21-14/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,20)/p+1