1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one Openeye Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(4-morpholinosulfonylphenyl)propan-1-one CAS Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(4-morpholinosulfonylphenyl)propan-1-one Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H29N3O4S/c1-20-9-2-10-21(12-11-20)19(23)8-5-17-3-6-18(7-4-17)27(24,25)22-13-15-26-16-14-22/h3-4,6-7H,2,5,8-16H2,1H3/p+1