N-(1-ethanoyl-2,3-dihydroindol-5-yl)-2-[(4S)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide

Systemtic Name: N-(1-ethanoyl-2,3-dihydroindol-5-yl)-2-[(4S)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(1-acetylindolin-5-yl)-2-[(4S)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4S)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4S)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(1-acetylindolin-5-yl)-2-[(4S)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C27H28N3O2+ MolecularWeight: 426.53012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)C[NH+]3CC(C4=CC=CC=C4C3)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)C[NH+]3C[C@H](C4=CC=CC=C4C3)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c1-19(31)30-14-13-21-15-23(11-12-26(21)30)28-27(32)18-29-16-22-9-5-6-10-24(22)25(17-29)20-7-3-2-4-8-20/h2-12,15,25H,13-14,16-18H2,1H3,(H,28,32)/p+1/t25-/m0/s1