1-[(Z)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)pyridin-1-ium-3-sulfonamide bromide

Systemtic Name: 1-[(Z)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)pyridin-1-ium-3-sulfonamide bromide Openeye Name: 1-[(Z)-cinnamyl]-N-(3-isopropoxypropyl)pyridin-1-ium-3-sulfonamide bromide CAS Name: 1-[(Z)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-3-pyridin-1-iumsulfonamide bromide IUPAC Name: 1-[(Z)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)pyridin-1-ium-3-sulfonamide bromide Traditional Name: 1-[(Z)-cinnamyl]-N-(3-isopropoxypropyl)pyridin-1-ium-3-sulfonamide bromide Formula: C20H27BrN2O3S MolecularWeight: 455.40898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNS(=O)(=O)C1=C[N+](=CC=C1)CC=CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CC(C)OCCCNS(=O)(=O)C1=C[N+](=CC=C1)C/C=C\C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C20H27N2O3S.BrH/c1-18(2)25-16-8-13-21-26(23,24)20-12-7-15-22(17-20)14-6-11-19-9-4-3-5-10-19;/h3-7,9-12,15,17-18,21H,8,13-14,16H2,1-2H3;1H/q+1;/p-1/b11-6-;