2-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylamino]ethyl-dimethylazanium Traditional Name: 2-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]methylamino]ethyl-dimethyl-ammonium Formula: C25H40N5O3S+ MolecularWeight: 490.6818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)CNCC[NH+](C)C

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)CNCC[NH+](C)C

InChI

InChI=1S/C25H39N5O3S/c1-20-17-22(19-26-9-12-27(3)4)21(2)30(20)25-18-23(7-8-24(25)28-10-5-6-11-28)34(31,32)29-13-15-33-16-14-29/h7-8,17-18,26H,5-6,9-16,19H2,1-4H3/p+1