1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]azepan-1-ium

Systemtic Name: 1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]azepan-1-ium Openeye Name: 1-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]azepan-1-ium CAS Name: 1-[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]azepan-1-ium IUPAC Name: 1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]azepan-1-ium Traditional Name: 1-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]azepan-1-ium Formula: C18H29N2O3S+ MolecularWeight: 353.49946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C18H28N2O3S/c1-23-17-6-8-18(9-7-17)24(21,22)20-14-10-16(11-15-20)19-12-4-2-3-5-13-19/h6-9,16H,2-5,10-15H2,1H3/p+1