(E)-3-(4-methoxyphenyl)-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-propyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-propyl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxo-propyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxopropyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxopropyl]prop-2-enamide Traditional Name: (E)-N-[3-keto-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]-3-(4-methoxyphenyl)acrylamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CCNC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CCNC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H27N3O3/c1-21-12-3-13-22(15-14-21)19(24)10-11-20-18(23)9-6-16-4-7-17(25-2)8-5-16/h4-9H,3,10-15H2,1-2H3,(H,20,23)/p+1/b9-6+