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

Systemtic Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]propanamide Openeye Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]propanamide CAS Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]propanamide IUPAC Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]propanamide Traditional Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]propionamide Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-25-12-14-26(15-13-25)23(28)17-6-8-18(9-7-17)24-22(27)11-10-19-16-29-20-4-2-3-5-21(20)30-19/h2-9,19H,10-16H2,1H3,(H,24,27)/p+1/t19-/m0/s1