sodium; 1-[2-(aminomethyl)phenyl]-2-azanyl-3-phenyl-propan-1-one; methanal; 1-methylaziridine-2-carboxylic acid

Systemtic Name: sodium; 1-[2-(aminomethyl)phenyl]-2-azanyl-3-phenyl-propan-1-one; methanal; 1-methylaziridine-2-carboxylic acid Openeye Name: sodium; 2-amino-1-[2-(aminomethyl)phenyl]-3-phenyl-propan-1-one; formaldehyde; 1-methylaziridine-2-carboxylic acid CAS Name: sodium; 2-amino-1-[2-(aminomethyl)phenyl]-3-phenyl-1-propanone; formaldehyde; 1-methyl-2-aziridinecarboxylic acid IUPAC Name: sodium; 2-amino-1-[2-(aminomethyl)phenyl]-3-phenylpropan-1-one; formaldehyde; 1-methylaziridine-2-carboxylic acid Traditional Name: sodium; 2-amino-1-[2-(aminomethyl)phenyl]-3-phenyl-propan-1-one; formaldehyde; 1-methylethylenimine-2-carboxylic acid Formula: C21H27N3NaO4+ MolecularWeight: 408.44655

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC1C(=O)O.C=O.C1=CC=C(C=C1)CC(C(=O)C2=CC=CC=C2CN)N.[Na+]

Isomeric SMILES

CN1CC1C(=O)O.C=O.C1=CC=C(C=C1)CC(C(=O)C2=CC=CC=C2CN)N.[Na+]

InChI

InChI=1S/C16H18N2O.C4H7NO2.CH2O.Na/c17-11-13-8-4-5-9-14(13)16(19)15(18)10-12-6-2-1-3-7-12;1-5-2-3(5)4(6)7;1-2;/h1-9,15H,10-11,17-18H2;3H,2H2,1H3,(H,6,7);1H2;/q;;;+1