3,4-dimethyl-N-[2-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[2-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3,4-dimethyl-N-[2-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]-2-oxo-ethyl]benzamide CAS Name: 3,4-dimethyl-N-[2-[[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[2-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]ethyl]-3,4-dimethyl-benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-15-5-6-17(12-16(15)2)21(26)23-14-20(25)22-13-18(19-4-3-11-28-19)24-7-9-27-10-8-24/h3-6,11-12,18H,7-10,13-14H2,1-2H3,(H,22,25)(H,23,26)/p+1/t18-/m0/s1