(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-propenamide IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acrylamide Formula: C21H30ClN2O3+ MolecularWeight: 393.9275

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C=CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H29ClN2O3/c1-16-6-2-3-10-24(16)11-4-9-23-20(25)8-7-17-14-18(22)21-19(15-17)26-12-5-13-27-21/h7-8,14-16H,2-6,9-13H2,1H3,(H,23,25)/p+1/b8-7+/t16-/m0/s1