5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-1-ium-2-amine

Systemtic Name: 5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-1-ium-2-amine Openeye Name: N-[2-(4-isopropylphenyl)ethyl]-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: 5-(4-morpholinylsulfonyl)-N-[2-(4-propan-2-ylphenyl)ethyl]-2-pyridin-1-iumamine IUPAC Name: 5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-1-ium-2-amine Traditional Name: (5-morpholinosulfonylpyridin-1-ium-2-yl)-(2-p-cumenylethyl)amine Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H27N3O3S/c1-16(2)18-5-3-17(4-6-18)9-10-21-20-8-7-19(15-22-20)27(24,25)23-11-13-26-14-12-23/h3-8,15-16H,9-14H2,1-2H3,(H,21,22)/p+1