N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)naphthalene-1-sulfonamide

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)naphthalene-1-sulfonamide Openeye Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)naphthalene-1-sulfonamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1-naphthalenesulfonamide IUPAC Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)naphthalene-1-sulfonamide Traditional Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)naphthalene-1-sulfonamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H29N3O3S/c1-24-12-5-9-21(24)19-26(14-6-13-25-15-17-29-18-16-25)30(27,28)23-11-4-8-20-7-2-3-10-22(20)23/h2-5,7-12H,6,13-19H2,1H3/p+1