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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

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