3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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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)OCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H29N3O3/c1-17-15-19(26-11-9-25(2)10-12-26)5-6-20(17)24-23(27)8-4-18-3-7-21-22(16-18)29-14-13-28-21/h3,5-7,15-16H,4,8-14H2,1-2H3,(H,24,27)/p+1