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

Systemtic Name: 4-chloranyl-N-[4-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]-4-oxidanylidene-butyl]benzamide Openeye Name: 4-chloro-N-[4-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]-4-oxo-butyl]benzamide CAS Name: 4-chloro-N-[4-[[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide IUPAC Name: 4-chloro-N-[4-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide Traditional Name: 4-chloro-N-[4-keto-4-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]butyl]benzamide Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)C3=CC=CS3

InChI

InChI=1S/C21H26ClN3O3S/c22-17-7-5-16(6-8-17)21(27)23-9-1-4-20(26)24-15-18(19-3-2-14-29-19)25-10-12-28-13-11-25/h2-3,5-8,14,18H,1,4,9-13,15H2,(H,23,27)(H,24,26)/p+1/t18-/m0/s1