(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[4-[4-morpholinyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]propionamide Formula: C21H30N5O6+ MolecularWeight: 448.4928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCN(CC3)C(=O)N4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCN(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C21H29N5O6/c1-15(24-4-6-25(7-5-24)21(29)26-8-10-30-11-9-26)19(27)23-20(28)22-16-2-3-17-18(14-16)32-13-12-31-17/h2-3,14-15H,4-13H2,1H3,(H2,22,23,27,28)/p+1/t15-/m0/s1