4-(1H-indol-2-ylmethyl)-9-methoxy-7-(2-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-(1H-indol-2-ylmethyl)-9-methoxy-7-(2-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-(1H-indol-2-ylmethyl)-9-methoxy-7-(o-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(1H-indol-2-ylmethyl)-9-methoxy-7-(2-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(1H-indol-2-ylmethyl)-9-methoxy-7-(2-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(1H-indol-2-ylmethyl)-9-methoxy-7-(o-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H27N2O2+ MolecularWeight: 399.50478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C26H26N2O2/c1-18-7-3-5-9-23(18)20-13-21-16-28(11-12-30-26(21)25(15-20)29-2)17-22-14-19-8-4-6-10-24(19)27-22/h3-10,13-15,27H,11-12,16-17H2,1-2H3/p+1