2-[4-methyl-2-(2-oxidanylidene-1,2-benzodiazepin-2-ium-4-yl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-2-(2-oxidanylidene-1,2-benzodiazepin-2-ium-4-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-(2-oxo-1,2-benzodiazepin-2-ium-4-yl)piperazin-1-yl]acetic acid CAS Name: 2-[4-methyl-2-(2-oxo-1,2-benzodiazepin-2-ium-4-yl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-methyl-2-(2-oxo-1,2-benzodiazepin-2-ium-4-yl)piperazin-1-yl]acetic acid Traditional Name: 2-[2-(2-keto-1,2-benzodiazepin-2-ium-4-yl)-4-methyl-piperazino]acetic acid Formula: C16H19N4O3+ MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=C[N+](=O)N=C3C=CC=CC3=C2)CC(=O)O

Isomeric SMILES

CN1CCN(C(C1)C2=C[N+](=O)N=C3C=CC=CC3=C2)CC(=O)O

InChI

InChI=1S/C16H18N4O3/c1-18-6-7-19(11-16(21)22)15(10-18)13-8-12-4-2-3-5-14(12)17-20(23)9-13/h2-5,8-9,15H,6-7,10-11H2,1H3/p+1