N-[(2S)-3-methyl-1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-[4-(4-morpholin-4-iumylmethyl)anilino]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[4-(morpholin-4-ium-4-ylmethyl)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoyl]propyl]thiophene-2-carboxamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C[NH+]2CCOCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C[NH+]2CCOCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O3S/c1-15(2)19(23-20(25)18-4-3-13-28-18)21(26)22-17-7-5-16(6-8-17)14-24-9-11-27-12-10-24/h3-8,13,15,19H,9-12,14H2,1-2H3,(H,22,26)(H,23,25)/p+1/t19-/m0/s1