9-methoxy-7-(3-methoxyphenyl)-4-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(3-methoxyphenyl)-4-(m-tolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(3-methoxyphenyl)-4-(3-methylbenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H28NO3+ MolecularWeight: 390.49472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H27NO3/c1-18-6-4-7-19(12-18)16-26-10-11-29-25-22(17-26)13-21(15-24(25)28-3)20-8-5-9-23(14-20)27-2/h4-9,12-15H,10-11,16-17H2,1-3H3/p+1