N-(3-morpholin-4-ylsulfonylphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine

Systemtic Name: N-(3-morpholin-4-ylsulfonylphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-(3-morpholinosulfonylphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-[3-(4-morpholinylsulfonyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-(3-morpholin-4-ylsulfonylphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: (3-morpholinosulfonylphenyl)-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCC(=[NH+]CC1)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H23N3O3S/c20-23(21,19-9-11-22-12-10-19)15-6-4-5-14(13-15)18-16-7-2-1-3-8-17-16/h4-6,13H,1-3,7-12H2,(H,17,18)/p+1