4-butoxy-N-(3-morpholin-4-ium-4-ylpropyl)naphthalene-1-sulfonamide

Systemtic Name: 4-butoxy-N-(3-morpholin-4-ium-4-ylpropyl)naphthalene-1-sulfonamide Openeye Name: 4-butoxy-N-(3-morpholin-4-ium-4-ylpropyl)naphthalene-1-sulfonamide CAS Name: 4-butoxy-N-[3-(4-morpholin-4-iumyl)propyl]-1-naphthalenesulfonamide IUPAC Name: 4-butoxy-N-(3-morpholin-4-ium-4-ylpropyl)naphthalene-1-sulfonamide Traditional Name: 4-butoxy-N-(3-morpholin-4-ium-4-ylpropyl)naphthalene-1-sulfonamide Formula: C21H31N2O4S+ MolecularWeight: 407.54684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H30N2O4S/c1-2-3-15-27-20-9-10-21(19-8-5-4-7-18(19)20)28(24,25)22-11-6-12-23-13-16-26-17-14-23/h4-5,7-10,22H,2-3,6,11-17H2,1H3/p+1