N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide

Systemtic Name: N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: N-methyl-1-[(1-methyl-4-pyrazolyl)methyl]-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C29H36N5O2+ MolecularWeight: 486.62844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[N+]2(CCC(=CC3=CC=CC=C32)C(=O)N(C)C4=CC=CC=C4)CNC5CCOCC5

Isomeric SMILES

CN1C=C(C=N1)C[N+]2(CCC(=CC3=CC=CC=C32)C(=O)N(C)C4=CC=CC=C4)CNC5CCOCC5

InChI

InChI=1S/C29H36N5O2/c1-32-20-23(19-31-32)21-34(22-30-26-13-16-36-17-14-26)15-12-25(18-24-8-6-7-11-28(24)34)29(35)33(2)27-9-4-3-5-10-27/h3-11,18-20,26,30H,12-17,21-22H2,1-2H3/q+1