4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Openeye Name: 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Traditional Name: 4-[(3S)-3-methylpiperidino]sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Formula: C24H38N3O4S+ MolecularWeight: 464.64122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C24H37N3O4S/c1-20-6-5-13-27(18-20)32(29,30)22-9-7-21(8-10-22)23(28)25-19-24(11-3-2-4-12-24)26-14-16-31-17-15-26/h7-10,20H,2-6,11-19H2,1H3,(H,25,28)/p+1/t20-/m0/s1