N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC4=C(C=C3)OCCO4)C

InChI

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