1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O4/c25-20(22-17-6-7-18-19(12-17)28-14-27-18)13-24-10-8-15(9-11-24)21(26)23-16-4-2-1-3-5-16/h1-7,12,15H,8-11,13-14H2,(H,22,25)(H,23,26)/p+1