4-cyclopentyl-7-(3,4-dimethoxyphenyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-cyclopentyl-7-(3,4-dimethoxyphenyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-cyclopentyl-7-(3,4-dimethoxyphenyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-cyclopentyl-7-(3,4-dimethoxyphenyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-cyclopentyl-7-(3,4-dimethoxyphenyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-cyclopentyl-7-(3,4-dimethoxyphenyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H30NO4+ MolecularWeight: 384.4886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)C4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)C4CCCC4)OC

InChI

InChI=1S/C23H29NO4/c1-25-20-9-8-16(13-21(20)26-2)17-12-18-15-24(19-6-4-5-7-19)10-11-28-23(18)22(14-17)27-3/h8-9,12-14,19H,4-7,10-11,15H2,1-3H3/p+1