N-ethyl-6-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-phenyl-pyridine-3-sulfonamide

Systemtic Name: N-ethyl-6-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-phenyl-pyridine-3-sulfonamide Openeye Name: N-ethyl-6-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-phenyl-pyridine-3-sulfonamide CAS Name: N-ethyl-6-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-N-phenyl-3-pyridinesulfonamide IUPAC Name: N-ethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-N-phenylpyridine-3-sulfonamide Traditional Name: N-ethyl-6-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-phenyl-pyridine-3-sulfonamide Formula: C23H32N5O3S+ MolecularWeight: 458.59688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H31N5O3S/c1-2-28(20-8-4-3-5-9-20)32(30,31)21-10-11-22(24-18-21)26-16-14-25(15-17-26)19-23(29)27-12-6-7-13-27/h3-5,8-11,18H,2,6-7,12-17,19H2,1H3/p+1