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

Systemtic Name: carboxy-[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]-carboxy-methyl-phenyl-ammonium CAS Name: carboxy-[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]-carboxy-methyl-phenylazanium Traditional Name: [[1-benzyl-2-[benzyl(methyl)amino]-2-keto-ethyl]-ethyl-amino]-carboxy-methyl-phenyl-ammonium Formula: C27H32N3O3+ MolecularWeight: 446.56128

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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)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3/c1-4-29(30(3,27(32)33)24-18-12-7-13-19-24)25(20-22-14-8-5-9-15-22)26(31)28(2)21-23-16-10-6-11-17-23/h5-19,25H,4,20-21H2,1-3H3/p+1