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

Systemtic Name: N-cycloheptyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cycloheptyl-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cycloheptyl-2-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cycloheptyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-cycloheptyl-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-ium-1-yl]acetamide Formula: C23H33N4O3S+ MolecularWeight: 445.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC4CCCCCC4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC4CCCCCC4

InChI

InChI=1S/C23H32N4O3S/c1-18-15-19-7-6-10-21(23(19)24-16-18)31(29,30)27-13-11-26(12-14-27)17-22(28)25-20-8-4-2-3-5-9-20/h6-7,10,15-16,20H,2-5,8-9,11-14,17H2,1H3,(H,25,28)/p+1