1-[3-[(2,4-dimethoxyphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-[(2,4-dimethoxyphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-(2,4-dimethoxyanilino)-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-(2,4-dimethoxyanilino)-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-(2,4-dimethoxyanilino)-3-keto-propyl]piperidin-1-ium-4-carboxamide Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCC(CC2)C(=O)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCC(CC2)C(=O)N)OC

InChI

InChI=1S/C17H25N3O4/c1-23-13-3-4-14(15(11-13)24-2)19-16(21)7-10-20-8-5-12(6-9-20)17(18)22/h3-4,11-12H,5-10H2,1-2H3,(H2,18,22)(H,19,21)/p+1