N-(diphenylmethyl)-3-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]propanamide

Systemtic Name: N-(diphenylmethyl)-3-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]propanamide Openeye Name: N-benzhydryl-3-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]propanamide CAS Name: N-(diphenylmethyl)-3-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]propanamide IUPAC Name: N-benzhydryl-3-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]propanamide Traditional Name: N-benzhydryl-3-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]propionamide Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=C(C=C2)OC)CCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)OC)CCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3/c1-20-18-29(19-23-13-14-24(31-2)17-25(23)32-20)16-15-26(30)28-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,20,27H,15-16,18-19H2,1-2H3,(H,28,30)/p+1/t20-/m0/s1