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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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