N-[(4-tert-butylphenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (4-tert-butylbenzyl)-methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H29N3O3S/c1-21(2,3)18-7-5-17(6-8-18)16-23(4)20-10-9-19(15-22-20)28(25,26)24-11-13-27-14-12-24/h5-10,15H,11-14,16H2,1-4H3/p+1