(2-aminophenyl)-(phenylcarbonyl)-[(pyridin-3-ylmethoxycarbonylamino)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (2-aminophenyl)-(phenylcarbonyl)-[(pyridin-3-ylmethoxycarbonylamino)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (2-aminophenyl)-benzoyl-[(3-pyridylmethoxycarbonylamino)methyl]-(3-pyridylmethyl)ammonium CAS Name: (2-aminophenyl)-benzoyl-[[[oxo(3-pyridinylmethoxy)methyl]amino]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (2-aminophenyl)-benzoyl-[(pyridin-3-ylmethoxycarbonylamino)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (2-aminophenyl)-benzoyl-[(3-pyridylmethoxycarbonylamino)methyl]-(3-pyridylmethyl)ammonium Formula: C27H26N5O3+ MolecularWeight: 468.52704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[N+](CC2=CN=CC=C2)(CNC(=O)OCC3=CN=CC=C3)C4=CC=CC=C4N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[N+](CC2=CN=CC=C2)(CNC(=O)OCC3=CN=CC=C3)C4=CC=CC=C4N

InChI

InChI=1S/C27H25N5O3/c28-24-12-4-5-13-25(24)32(18-21-8-6-14-29-16-21,26(33)23-10-2-1-3-11-23)20-31-27(34)35-19-22-9-7-15-30-17-22/h1-17H,18-20,28H2/p+1