3-(1,3-benzodioxol-5-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O3/c1-16-13-18(25-11-9-24(2)10-12-25)5-6-19(16)23-22(26)8-4-17-3-7-20-21(14-17)28-15-27-20/h3,5-7,13-14H,4,8-12,15H2,1-2H3,(H,23,26)/p+1