4-[(6R)-3-chloranyl-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium

Systemtic Name: 4-[(6R)-3-chloranyl-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium Openeye Name: 4-[(6R)-3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium CAS Name: 4-[(6R)-3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methylpiperidin-1-ium IUPAC Name: 4-[(6R)-3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methylpiperidin-1-ium Traditional Name: 4-[(6R)-3-chloro-6H-benzo[b][4,1]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=CC=CC=C3SC4=C(O2)C=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)[C@@H]2C3=CC=CC=C3SC4=C(O2)C=C(C=C4)Cl

InChI

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