9-methoxy-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(E)-2-methyl-3-phenyl-allyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(E)-2-methyl-3-phenylprop-2-enyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(E)-2-methyl-3-phenylprop-2-enyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(E)-2-methyl-3-phenyl-allyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H27N2O2+ MolecularWeight: 387.49408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

InChI

InChI=1S/C25H26N2O2/c1-19(13-20-7-4-3-5-8-20)17-27-11-12-29-25-23(18-27)14-22(15-24(25)28-2)21-9-6-10-26-16-21/h3-10,13-16H,11-12,17-18H2,1-2H3/p+1/b19-13+