N-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-piperonylamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4/c26-21(13-23-22(27)17-6-7-19-20(12-17)29-15-28-19)24-18-8-10-25(11-9-18)14-16-4-2-1-3-5-16/h1-7,12,18H,8-11,13-15H2,(H,23,27)(H,24,26)/p+1