1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C22H32N5O3S+ MolecularWeight: 446.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C=NN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)/C=N\N4CC[NH+](CC4)C

InChI

InChI=1S/C22H31N5O3S/c1-18-15-20(17-23-25-9-7-24(3)8-10-25)19(2)27(18)21-5-4-6-22(16-21)31(28,29)26-11-13-30-14-12-26/h4-6,15-17H,7-14H2,1-3H3/p+1/b23-17-