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

Systemtic Name: sodium; 1-[2-(aminomethyl)cyclohexyl]-2-azanyl-3-phenyl-propan-1-one; aziridine-2-carboxylic acid; methanal Openeye Name: sodium; 2-amino-1-[2-(aminomethyl)cyclohexyl]-3-phenyl-propan-1-one; aziridine-2-carboxylic acid; formaldehyde CAS Name: sodium; 2-amino-1-[2-(aminomethyl)cyclohexyl]-3-phenyl-1-propanone; 2-aziridinecarboxylic acid; formaldehyde IUPAC Name: sodium; 2-amino-1-[2-(aminomethyl)cyclohexyl]-3-phenylpropan-1-one; aziridine-2-carboxylic acid; formaldehyde Traditional Name: sodium; 2-amino-1-[2-(aminomethyl)cyclohexyl]-3-phenyl-propan-1-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C20H31N3NaO4+ MolecularWeight: 400.46761

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C1CCC(C(C1)CN)C(=O)C(CC2=CC=CC=C2)N.C1C(N1)C(=O)O.[Na+]

Isomeric SMILES

C=O.C1CCC(C(C1)CN)C(=O)C(CC2=CC=CC=C2)N.C1C(N1)C(=O)O.[Na+]

InChI

InChI=1S/C16H24N2O.C3H5NO2.CH2O.Na/c17-11-13-8-4-5-9-14(13)16(19)15(18)10-12-6-2-1-3-7-12;5-3(6)2-1-4-2;1-2;/h1-3,6-7,13-15H,4-5,8-11,17-18H2;2,4H,1H2,(H,5,6);1H2;/q;;;+1