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

Systemtic Name: 4-ethoxy-N-[2-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-ethoxy-N-[2-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]-2-oxo-ethyl]benzamide CAS Name: 4-ethoxy-N-[2-[[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide IUPAC Name: 4-ethoxy-N-[2-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide Traditional Name: 4-ethoxy-N-[2-keto-2-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]ethyl]benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O4S/c1-2-28-17-7-5-16(6-8-17)21(26)23-15-20(25)22-14-18(19-4-3-13-29-19)24-9-11-27-12-10-24/h3-8,13,18H,2,9-12,14-15H2,1H3,(H,22,25)(H,23,26)/p+1/t18-/m0/s1