(2S)-N-(4-methoxyphenyl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-methoxyphenyl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-methoxyphenyl)-2-[4-(2-morpholino-2-oxo-acetyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-methoxyphenyl)-2-[4-[2-(4-morpholinyl)-1,2-dioxoethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-methoxyphenyl)-2-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(2-keto-2-morpholino-acetyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propionamide Formula: C20H29N4O5+ MolecularWeight: 405.46806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C(=O)C(=O)N3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C(=O)C(=O)N3CCOCC3

InChI

InChI=1S/C20H28N4O5/c1-15(18(25)21-16-3-5-17(28-2)6-4-16)22-7-9-23(10-8-22)19(26)20(27)24-11-13-29-14-12-24/h3-6,15H,7-14H2,1-2H3,(H,21,25)/p+1/t15-/m0/s1