9-methoxy-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)OC)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

InChI

InChI=1S/C26H30N2O3/c1-19(6-7-20-8-10-24(29-2)11-9-20)28-13-14-31-26-23(18-28)15-22(16-25(26)30-3)21-5-4-12-27-17-21/h4-5,8-12,15-17,19H,6-7,13-14,18H2,1-3H3/p+1/t19-/m0/s1