4-[(6R)-8-chloranyl-6H-benzo[b][1,5]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium

Systemtic Name: 4-[(6R)-8-chloranyl-6H-benzo[b][1,5]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium Openeye Name: 4-[(6R)-8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium CAS Name: 4-[(6R)-8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl]-1-methylpiperidin-1-ium IUPAC Name: 4-[(6R)-8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl]-1-methylpiperidin-1-ium Traditional Name: 4-[(6R)-8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium Formula: C19H21ClNOS+ MolecularWeight: 346.89414

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2C3=C(C=CC(=C3)Cl)OC4=CC=CC=C4S2

Isomeric SMILES

C[NH+]1CCC(CC1)[C@@H]2C3=C(C=CC(=C3)Cl)OC4=CC=CC=C4S2

InChI

InChI=1S/C19H20ClNOS/c1-21-10-8-13(9-11-21)19-15-12-14(20)6-7-16(15)22-17-4-2-3-5-18(17)23-19/h2-7,12-13,19H,8-11H2,1H3/p+1/t19-/m1/s1