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

Systemtic Name: (2S)-N-(4-methoxyphenyl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-methoxyphenyl)-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-methoxyphenyl)-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-methoxyphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propionamide Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O4/c1-16(20(26)21-17-3-5-18(27-2)6-4-17)23-9-7-22(8-10-23)15-19(25)24-11-13-28-14-12-24/h3-6,16H,7-15H2,1-2H3,(H,21,26)/p+1/t16-/m0/s1