4-[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]-1,4-oxazepan-4-ium

Systemtic Name: 4-[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]-1,4-oxazepan-4-ium Openeye Name: 4-[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-4-piperidyl]-1,4-oxazepan-4-ium CAS Name: 4-[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-4-piperidinyl]-1,4-oxazepan-4-ium IUPAC Name: 4-[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]-1,4-oxazepan-4-ium Traditional Name: 4-[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-4-piperidyl]-1,4-oxazepan-4-ium Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CCCOCC4

Isomeric SMILES

CC1=NN=C(S1)C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CCCOCC4

InChI

InChI=1S/C19H26N4OS/c1-15-20-21-19(25-15)16-4-2-5-18(14-16)23-9-6-17(7-10-23)22-8-3-12-24-13-11-22/h2,4-5,14,17H,3,6-13H2,1H3/p+1