(2S)-8-methoxy-2-methyl-4-(1-phenethylpiperidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-8-methoxy-2-methyl-4-(1-phenethylpiperidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-8-methoxy-2-methyl-4-(1-phenethyl-4-piperidyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-8-methoxy-2-methyl-4-(1-phenethyl-4-piperidinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-8-methoxy-2-methyl-4-(1-phenethylpiperidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-8-methoxy-2-methyl-4-(1-phenethyl-4-piperidyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=C(C=C2)OC)C3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)OC)C3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H32N2O2/c1-19-17-26(18-21-8-9-23(27-2)16-24(21)28-19)22-11-14-25(15-12-22)13-10-20-6-4-3-5-7-20/h3-9,16,19,22H,10-15,17-18H2,1-2H3/p+1/t19-/m0/s1