4-(4-chloranyl-2-methyl-phenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]butanamide

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]butanamide Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]butanamide CAS Name: 4-(4-chloro-2-methylphenoxy)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 4-(4-chloro-2-methylphenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]butanamide Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]butyramide Formula: C21H28ClN2O3S+ MolecularWeight: 423.97662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O3S/c1-16-14-17(22)6-7-19(16)27-10-2-5-21(25)23-15-18(20-4-3-13-28-20)24-8-11-26-12-9-24/h3-4,6-7,13-14,18H,2,5,8-12,15H2,1H3,(H,23,25)/p+1/t18-/m0/s1