N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCCCO4)C

InChI

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