2-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-1-ium-3-ylidene]methylamino]guanidine

Systemtic Name: 2-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-1-ium-3-ylidene]methylamino]guanidine Openeye Name: 2-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-1-ium-3-ylidene]methylamino]guanidine CAS Name: 2-[[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrol-1-iumylidene]methylamino]guanidine IUPAC Name: 2-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-1-ium-3-ylidene]methylamino]guanidine Traditional Name: 2-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-1-ium-3-ylidene]methylamino]guanidine Formula: C22H32N7O3S+ MolecularWeight: 474.59958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNN=C(N)N)C(=[N+]1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CNN=C(N)N)C(=[N+]1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C

InChI

InChI=1S/C22H31N7O3S/c1-16-13-18(15-25-26-22(23)24)17(2)29(16)21-14-19(5-6-20(21)27-7-3-4-8-27)33(30,31)28-9-11-32-12-10-28/h5-6,13-15H,3-4,7-12H2,1-2H3,(H4,23,24,26)/p+1