N-[3-(azepan-1-ium-1-yl)propyl]-4-[methyl(methylsulfonyl)amino]benzamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[methyl(methylsulfonyl)amino]benzamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[methyl(methylsulfonyl)amino]benzamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-[methyl(methylsulfonyl)amino]benzamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[methyl(methylsulfonyl)amino]benzamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[mesyl(methyl)amino]benzamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C18H29N3O3S/c1-20(25(2,23)24)17-10-8-16(9-11-17)18(22)19-12-7-15-21-13-5-3-4-6-14-21/h8-11H,3-7,12-15H2,1-2H3,(H,19,22)/p+1