3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]propanamide

Systemtic Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]propanamide Openeye Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]propanamide CAS Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]propanamide IUPAC Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]propanamide Traditional Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]propionamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C24H29N3O4/c1-2-26-13-15-27(16-14-26)24(29)18-7-9-19(10-8-18)25-23(28)12-11-20-17-30-21-5-3-4-6-22(21)31-20/h3-10,20H,2,11-17H2,1H3,(H,25,28)/p+1/t20-/m0/s1