1-(4-tert-butylphenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-20(2,3)17-7-9-18(10-8-17)28(26,27)24-15-11-21(12-16-24,19(22)25)23-13-5-4-6-14-23/h7-10H,4-6,11-16H2,1-3H3,(H2,22,25)/p+1