N-[1-(cyclooctylmethyl)-1-prop-2-enyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[1-(cyclooctylmethyl)-1-prop-2-enyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[1-allyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide CAS Name: N-[1-(cyclooctylmethyl)-1-prop-2-enyl-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[1-(cyclooctylmethyl)-1-prop-2-enylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[1-allyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Formula: C31H41N2O2+ MolecularWeight: 473.66944

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5CCCCCCC5

Isomeric SMILES

C=CC[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5CCCCCCC5

InChI

InChI=1S/C31H40N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h2,8-11,14-17,24-25,30H,1,3-7,12-13,18-23H2/p+1