3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propionamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H29N3O3/c1-3-25-10-12-26(13-11-25)20-7-6-19(14-17(20)2)24-23(27)9-5-18-4-8-21-22(15-18)29-16-28-21/h4,6-8,14-15H,3,5,9-13,16H2,1-2H3,(H,24,27)/p+1