N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-9H-xanthene-9-carboxamide Openeye Name: N-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]-9H-xanthene-9-carboxamide CAS Name: N-[[(2S)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-9H-xanthene-9-carboxamide Traditional Name: N-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]-9H-xanthene-9-carboxamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C23H28N2O3/c1-16(2)14-25-11-12-27-17(15-25)13-24-23(26)22-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)22/h3-10,16-17,22H,11-15H2,1-2H3,(H,24,26)/p+1/t17-/m0/s1