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

Systemtic Name: N-(4-azanyl-2-methyl-phenyl)-3-thiomorpholin-4-ium-4-yl-propanamide Openeye Name: N-(4-amino-2-methyl-phenyl)-3-thiomorpholin-4-ium-4-yl-propanamide CAS Name: N-(4-amino-2-methylphenyl)-3-(4-thiomorpholin-4-iumyl)propanamide IUPAC Name: N-(4-amino-2-methylphenyl)-3-thiomorpholin-4-ium-4-ylpropanamide Traditional Name: N-(4-amino-2-methyl-phenyl)-3-thiomorpholin-4-ium-4-yl-propionamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3OS/c1-11-10-12(15)2-3-13(11)16-14(18)4-5-17-6-8-19-9-7-17/h2-3,10H,4-9,15H2,1H3,(H,16,18)/p+1