N-(3-azanyl-2-methyl-phenyl)-4-thiomorpholin-4-ium-4-yl-butanamide

Systemtic Name: N-(3-azanyl-2-methyl-phenyl)-4-thiomorpholin-4-ium-4-yl-butanamide Openeye Name: N-(3-amino-2-methyl-phenyl)-4-thiomorpholin-4-ium-4-yl-butanamide CAS Name: N-(3-amino-2-methylphenyl)-4-(4-thiomorpholin-4-iumyl)butanamide IUPAC Name: N-(3-amino-2-methylphenyl)-4-thiomorpholin-4-ium-4-ylbutanamide Traditional Name: N-(3-amino-2-methyl-phenyl)-4-thiomorpholin-4-ium-4-yl-butyramide Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCC[NH+]2CCSCC2)N

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCC[NH+]2CCSCC2)N

InChI

InChI=1S/C15H23N3OS/c1-12-13(16)4-2-5-14(12)17-15(19)6-3-7-18-8-10-20-11-9-18/h2,4-5H,3,6-11,16H2,1H3,(H,17,19)/p+1