4-[(4-ethoxyphenyl)methyl]-9-methoxy-7-quinolin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-[(4-ethoxyphenyl)methyl]-9-methoxy-7-quinolin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[(4-ethoxyphenyl)methyl]-9-methoxy-7-(3-quinolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-[(4-ethoxyphenyl)methyl]-9-methoxy-7-(3-quinolinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-[(4-ethoxyphenyl)methyl]-9-methoxy-7-quinolin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(4-ethoxybenzyl)-9-methoxy-7-(3-quinolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C28H29N2O3+ MolecularWeight: 441.54146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H28N2O3/c1-3-32-25-10-8-20(9-11-25)18-30-12-13-33-28-24(19-30)15-22(16-27(28)31-2)23-14-21-6-4-5-7-26(21)29-17-23/h4-11,14-17H,3,12-13,18-19H2,1-2H3/p+1