N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O4/c26-20(15-24-8-10-25(11-9-24)17-4-2-1-3-5-17)23-21(27)22-16-6-7-18-19(14-16)29-13-12-28-18/h1-7,14H,8-13,15H2,(H2,22,23,26,27)/p+1