1-[3-[(6S)-6H-benzo[c][1,5]benzoxathiepin-6-yl]propyl]piperidin-1-ium

Systemtic Name: 1-[3-[(6S)-6H-benzo[c][1,5]benzoxathiepin-6-yl]propyl]piperidin-1-ium Openeye Name: 1-[3-[(6S)-6H-benzo[c][1,5]benzoxathiepin-6-yl]propyl]piperidin-1-ium CAS Name: 1-[3-[(6S)-6H-benzo[c][1,5]benzoxathiepin-6-yl]propyl]piperidin-1-ium IUPAC Name: 1-[3-[(6S)-6H-benzo[c][1,5]benzoxathiepin-6-yl]propyl]piperidin-1-ium Traditional Name: 1-[3-[(6S)-6H-benzo[c][1,5]benzoxathiepin-6-yl]propyl]piperidin-1-ium Formula: C21H26NOS+ MolecularWeight: 340.50224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCC2C3=CC=CC=C3SC4=CC=CC=C4O2

Isomeric SMILES

C1CC[NH+](CC1)CCC[C@H]2C3=CC=CC=C3SC4=CC=CC=C4O2

InChI

InChI=1S/C21H25NOS/c1-6-14-22(15-7-1)16-8-11-18-17-9-2-4-12-20(17)24-21-13-5-3-10-19(21)23-18/h2-5,9-10,12-13,18H,1,6-8,11,14-16H2/p+1/t18-/m0/s1