N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: 4-(2-ketopyrrolidino)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C21H25N3O3S/c25-20-4-1-9-24(20)17-7-5-16(6-8-17)21(26)22-15-18(19-3-2-14-28-19)23-10-12-27-13-11-23/h2-3,5-8,14,18H,1,4,9-13,15H2,(H,22,26)/p+1/t18-/m0/s1