N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(5-methyl-2-thienyl)-4-oxo-butanamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-(5-methyl-2-thiophenyl)-4-oxobutanamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide Traditional Name: 4-keto-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(5-methyl-2-thienyl)butyramide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCOCC3

InChI

InChI=1S/C22H28N2O4S/c1-16-3-9-21(29-16)20(25)8-10-22(26)23-15-19(24-11-13-28-14-12-24)17-4-6-18(27-2)7-5-17/h3-7,9,19H,8,10-15H2,1-2H3,(H,23,26)/p+1/t19-/m1/s1