5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]thiophene-2-carboxamide

Systemtic Name: 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]thiophene-2-carboxamide Openeye Name: 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thiophene-2-carboxamide CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-thiophenecarboxamide IUPAC Name: 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide Traditional Name: 3-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-5-(pivaloylamino)thiophene-2-carboxamide Formula: C21H30N3O3S2+ MolecularWeight: 436.6112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C21H29N3O3S2/c1-14-12-17(23-20(26)21(2,3)4)29-18(14)19(25)22-13-15(16-6-5-11-28-16)24-7-9-27-10-8-24/h5-6,11-12,15H,7-10,13H2,1-4H3,(H,22,25)(H,23,26)/p+1/t15-/m0/s1