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

Systemtic Name: 9-methoxy-4-[(3S)-3-(5-methylfuran-2-yl)butyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(3S)-3-(5-methyl-2-furyl)butyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(3S)-3-(5-methyl-2-furanyl)butyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(3S)-3-(5-methylfuran-2-yl)butyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(3S)-3-(5-methyl-2-furyl)butyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)CC[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(O1)[C@@H](C)CC[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

InChI

InChI=1S/C24H28N2O3/c1-17(22-7-6-18(2)29-22)8-10-26-11-12-28-24-21(16-26)13-20(14-23(24)27-3)19-5-4-9-25-15-19/h4-7,9,13-15,17H,8,10-12,16H2,1-3H3/p+1/t17-/m0/s1