4-[4-[(3-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]-1-methyl-piperidin-1-ium-4-ol

Systemtic Name: 4-[4-[(3-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]-1-methyl-piperidin-1-ium-4-ol Openeye Name: 4-[4-[(3-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]-1-methyl-piperidin-1-ium-4-ol CAS Name: 4-[4-[(3-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]-1-methyl-4-piperidin-1-iumol IUPAC Name: 4-[4-[(3-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]-1-methylpiperidin-1-ium-4-ol Traditional Name: 4-[4-(3-ethoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]-1-methyl-piperidin-1-ium-4-ol Formula: C24H34N2O3+2 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3)C4(CC[NH+](CC4)C)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3)C4(CC[NH+](CC4)C)O

InChI

InChI=1S/C24H32N2O3/c1-3-28-22-6-4-5-19(15-22)17-26-13-14-29-23-8-7-21(16-20(23)18-26)24(27)9-11-25(2)12-10-24/h4-8,15-16,27H,3,9-14,17-18H2,1-2H3/p+2