N-(5-chloranyl-2-methoxy-phenyl)-3-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[(3S)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[(5-methyl-2-thiophenyl)methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[(3S)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]propionamide Formula: C21H28ClN2O2S+ MolecularWeight: 407.97722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCCC(C2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC[C@H](C2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H27ClN2O2S/c1-15-5-8-18(27-15)14-24-11-3-4-16(13-24)6-10-21(25)23-19-12-17(22)7-9-20(19)26-2/h5,7-9,12,16H,3-4,6,10-11,13-14H2,1-2H3,(H,23,25)/p+1/t16-/m0/s1