N-(5-azanyl-2-methoxy-phenyl)-4-thiomorpholin-4-ium-4-yl-butanamide

Systemtic Name: N-(5-azanyl-2-methoxy-phenyl)-4-thiomorpholin-4-ium-4-yl-butanamide Openeye Name: N-(5-amino-2-methoxy-phenyl)-4-thiomorpholin-4-ium-4-yl-butanamide CAS Name: N-(5-amino-2-methoxyphenyl)-4-(4-thiomorpholin-4-iumyl)butanamide IUPAC Name: N-(5-amino-2-methoxyphenyl)-4-thiomorpholin-4-ium-4-ylbutanamide Traditional Name: N-(5-amino-2-methoxy-phenyl)-4-thiomorpholin-4-ium-4-yl-butyramide Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)NC(=O)CCC[NH+]2CCSCC2

Isomeric SMILES

COC1=C(C=C(C=C1)N)NC(=O)CCC[NH+]2CCSCC2

InChI

InChI=1S/C15H23N3O2S/c1-20-14-5-4-12(16)11-13(14)17-15(19)3-2-6-18-7-9-21-10-8-18/h4-5,11H,2-3,6-10,16H2,1H3,(H,17,19)/p+1