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

Systemtic Name: 1-methyl-4-[4-[(4-phenylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]piperidin-1-ium-4-ol Openeye Name: 1-methyl-4-[4-[(4-phenylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]piperidin-1-ium-4-ol CAS Name: 1-methyl-4-[4-[(4-phenylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]-4-piperidin-1-iumol IUPAC Name: 1-methyl-4-[4-[(4-phenylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]piperidin-1-ium-4-ol Traditional Name: 1-methyl-4-[4-(4-phenylbenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]piperidin-1-ium-4-ol Formula: C28H34N2O2+2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OCC[NH+](C3)CC4=CC=C(C=C4)C5=CC=CC=C5)O

Isomeric SMILES

C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OCC[NH+](C3)CC4=CC=C(C=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C28H32N2O2/c1-29-15-13-28(31,14-16-29)26-11-12-27-25(19-26)21-30(17-18-32-27)20-22-7-9-24(10-8-22)23-5-3-2-4-6-23/h2-12,19,31H,13-18,20-21H2,1H3/p+2