azepan-1-yl-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]methanone

Systemtic Name: azepan-1-yl-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]methanone Openeye Name: azepan-1-yl-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]methanone CAS Name: 1-azepanyl-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]methanone IUPAC Name: azepan-1-yl-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Traditional Name: azepan-1-yl-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]methanone Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H29N3O4S/c1-20-11-13-22(14-12-20)27(24,25)16-7-8-18(26-2)17(15-16)19(23)21-9-5-3-4-6-10-21/h7-8,15H,3-6,9-14H2,1-2H3/p+1