N-(4-carbamothioylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-carbamothioylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-carbamothioylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(4-carbamothioylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-carbamothioylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-thiocarbamoylphenyl)acetamide Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C15H21N3OS/c1-11-3-2-8-18(9-11)10-14(19)17-13-6-4-12(5-7-13)15(16)20/h4-7,11H,2-3,8-10H2,1H3,(H2,16,20)(H,17,19)/p+1/t11-/m0/s1