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

Systemtic Name: 1-methyl-4-[4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]piperidin-1-ium-4-ol Openeye Name: 1-methyl-4-[4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]piperidin-1-ium-4-ol CAS Name: 1-methyl-4-[4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]-4-piperidin-1-iumol IUPAC Name: 1-methyl-4-[4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]piperidin-1-ium-4-ol Traditional Name: 1-methyl-4-[4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]piperidin-1-ium-4-ol Formula: C20H32N2O2+2 MolecularWeight: 332.48028

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCOC2=C(C1)C=C(C=C2)C3(CC[NH+](CC3)C)O

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCOC2=C(C1)C=C(C=C2)C3(CC[NH+](CC3)C)O

InChI

InChI=1S/C20H30N2O2/c1-4-16(2)14-22-11-12-24-19-6-5-18(13-17(19)15-22)20(23)7-9-21(3)10-8-20/h4-6,13,23H,7-12,14-15H2,1-3H3/p+2/b16-4+