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

Systemtic Name: 3-methyl-N-[2-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-methyl-N-[2-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]-2-oxo-ethyl]benzamide CAS Name: 3-methyl-N-[2-[[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide IUPAC Name: 3-methyl-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-methyl-benzamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-15-4-2-5-16(12-15)20(25)22-14-19(24)21-13-17(18-6-3-11-27-18)23-7-9-26-10-8-23/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,21,24)(H,22,25)/p+1/t17-/m0/s1