N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-piperonylamide Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1=NNC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3/c24-20(16-6-7-18-19(12-16)26-14-25-18)22-21-17-8-10-23(11-9-17)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,22,24)/p+1