carboxymethyl-[ethyl-[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-methyl-phenyl-azanium

Systemtic Name: carboxymethyl-[ethyl-[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-methyl-phenyl-azanium Openeye Name: [[1-benzyl-2-[benzyl(methyl)amino]-2-oxo-ethyl]-ethyl-amino]-(carboxymethyl)-methyl-phenyl-ammonium CAS Name: carboxymethyl-[ethyl-[1-[methyl-(phenylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-methyl-phenylammonium IUPAC Name: [[1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-ethylamino]-(carboxymethyl)-methyl-phenylazanium Traditional Name: [[1-benzyl-2-[benzyl(methyl)amino]-2-keto-ethyl]-ethyl-amino]-(carboxymethyl)-methyl-phenyl-ammonium Formula: C28H34N3O3+ MolecularWeight: 460.58786

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CC1=CC=CC=C1)C(=O)N(C)CC2=CC=CC=C2)[N+](C)(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCN(C(CC1=CC=CC=C1)C(=O)N(C)CC2=CC=CC=C2)[N+](C)(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C28H33N3O3/c1-4-30(31(3,22-27(32)33)25-18-12-7-13-19-25)26(20-23-14-8-5-9-15-23)28(34)29(2)21-24-16-10-6-11-17-24/h5-19,26H,4,20-22H2,1-3H3/p+1