3-(3-chloranyl-4-methyl-phenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(3-chloro-4-methyl-phenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(3-chloro-4-methylphenyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(3-chloro-4-methylphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(3-chloro-4-methyl-phenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]propionamide Formula: C20H26ClN2O2S+ MolecularWeight: 393.95064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O2S/c1-15-4-5-16(13-17(15)21)6-7-20(24)22-14-18(19-3-2-12-26-19)23-8-10-25-11-9-23/h2-5,12-13,18H,6-11,14H2,1H3,(H,22,24)/p+1/t18-/m0/s1