2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: [3-(4-acetylanilino)-3-oxo-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: [3-(4-acetylanilino)-3-oxopropyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: [3-(4-acetylanilino)-3-oxopropyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: [3-(4-acetylanilino)-3-keto-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H24N2O4/c1-15(24)17-4-6-18(7-5-17)22-21(25)9-10-23(2)14-16-3-8-19-20(13-16)27-12-11-26-19/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1