N-[(3S)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl]-9H-xanthene-4-carboxamide

Systemtic Name: N-[(3S)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl]-9H-xanthene-4-carboxamide Openeye Name: N-[(3S)-1-heptylquinuclidin-1-ium-3-yl]-9H-xanthene-4-carboxamide CAS Name: N-[(3S)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl]-9H-xanthene-4-carboxamide IUPAC Name: N-[(3S)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl]-9H-xanthene-4-carboxamide Traditional Name: N-[(3S)-1-heptylquinuclidin-1-ium-3-yl]-9H-xanthene-4-carboxamide Formula: C28H37N2O2+ MolecularWeight: 433.60558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]12CCC(CC1)C(C2)NC(=O)C3=C4C(=CC=C3)CC5=CC=CC=C5O4

Isomeric SMILES

CCCCCCC[N+]12CCC(CC1)[C@@H](C2)NC(=O)C3=C4C(=CC=C3)CC5=CC=CC=C5O4

InChI

InChI=1S/C28H36N2O2/c1-2-3-4-5-8-16-30-17-14-21(15-18-30)25(20-30)29-28(31)24-12-9-11-23-19-22-10-6-7-13-26(22)32-27(23)24/h6-7,9-13,21,25H,2-5,8,14-20H2,1H3/p+1/t21?,25-,30?/m1/s1