7-(5,8-dimethoxy-4-methyl-quinolin-2-yl)-4-(1-ethylpiperidin-1-ium-4-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(5,8-dimethoxy-4-methyl-quinolin-2-yl)-4-(1-ethylpiperidin-1-ium-4-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(5,8-dimethoxy-4-methyl-2-quinolyl)-4-(1-ethylpiperidin-1-ium-4-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(5,8-dimethoxy-4-methyl-2-quinolinyl)-4-(1-ethyl-4-piperidin-1-iumyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(5,8-dimethoxy-4-methylquinolin-2-yl)-4-(1-ethylpiperidin-1-ium-4-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(5,8-dimethoxy-4-methyl-2-quinolyl)-4-(1-ethylpiperidin-1-ium-4-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C29H39N3O4+2 MolecularWeight: 493.63766

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=C(C=CC(=C5C(=C4)C)OC)OC

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=C(C=CC(=C5C(=C4)C)OC)OC

InChI

InChI=1S/C29H37N3O4/c1-6-31-11-9-22(10-12-31)32-13-14-36-29-21(18-32)16-20(17-26(29)35-5)23-15-19(2)27-24(33-3)7-8-25(34-4)28(27)30-23/h7-8,15-17,22H,6,9-14,18H2,1-5H3/p+2