3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methyl-piperidin-1-ium

Systemtic Name: 3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methyl-piperidin-1-ium Openeye Name: 3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methyl-piperidin-1-ium CAS Name: 3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methylpiperidin-1-ium IUPAC Name: 3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methylpiperidin-1-ium Traditional Name: 3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methyl-piperidin-1-ium Formula: C20H24NOS+ MolecularWeight: 326.47566

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C4O2

Isomeric SMILES

C[NH+]1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C4O2

InChI

InChI=1S/C20H23NOS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)23-20-11-5-3-9-17(20)22-18/h2-5,8-11,15,18H,6-7,12-14H2,1H3/p+1