N-[4-[4-(azepan-1-ium-1-yl)piperidin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(azepan-1-ium-1-yl)piperidin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[[4-(azepan-1-ium-1-yl)-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[4-(1-azepan-1-iumyl)-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(azepan-1-ium-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(azepan-1-ium-1-yl)piperidino]sulfonylphenyl]acetamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C19H29N3O3S/c1-16(23)20-17-6-8-19(9-7-17)26(24,25)22-14-10-18(11-15-22)21-12-4-2-3-5-13-21/h6-9,18H,2-5,10-15H2,1H3,(H,20,23)/p+1