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

Systemtic Name: N-(4-azanyl-2-methyl-phenyl)-4-thiomorpholin-4-ium-4-yl-butanamide Openeye Name: N-(4-amino-2-methyl-phenyl)-4-thiomorpholin-4-ium-4-yl-butanamide CAS Name: N-(4-amino-2-methylphenyl)-4-(4-thiomorpholin-4-iumyl)butanamide IUPAC Name: N-(4-amino-2-methylphenyl)-4-thiomorpholin-4-ium-4-ylbutanamide Traditional Name: N-(4-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(=C1)N)NC(=O)CCC[NH+]2CCSCC2

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC(=O)CCC[NH+]2CCSCC2

InChI

InChI=1S/C15H23N3OS/c1-12-11-13(16)4-5-14(12)17-15(19)3-2-6-18-7-9-20-10-8-18/h4-5,11H,2-3,6-10,16H2,1H3,(H,17,19)/p+1