N-[(2S)-butan-2-yl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-ium-1-yl]acetamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

InChI

InChI=1S/C20H28N4O3S/c1-4-16(3)22-19(25)14-23-8-10-24(11-9-23)28(26,27)18-7-5-6-17-12-15(2)13-21-20(17)18/h5-7,12-13,16H,4,8-11,14H2,1-3H3,(H,22,25)/p+1/t16-/m0/s1