3-[3,5-bis(4-nitrophenyl)-1,2,3,4-tetrazol-3-ium-2-yl]-N,N-bis(2-chloroethyl)aniline

Systemtic Name: 3-[3,5-bis(4-nitrophenyl)-1,2,3,4-tetrazol-3-ium-2-yl]-N,N-bis(2-chloroethyl)aniline Openeye Name: 3-[3,5-bis(4-nitrophenyl)tetrazol-3-ium-2-yl]-N,N-bis(2-chloroethyl)aniline CAS Name: 3-[3,5-bis(4-nitrophenyl)-2-tetrazol-3-iumyl]-N,N-bis(2-chloroethyl)aniline IUPAC Name: 3-[3,5-bis(4-nitrophenyl)tetrazol-3-ium-2-yl]-N,N-bis(2-chloroethyl)aniline Traditional Name: [3-[3,5-bis(4-nitrophenyl)tetrazol-3-ium-2-yl]phenyl]-bis(2-chloroethyl)amine Formula: C23H20Cl2N7O4+ MolecularWeight: 529.3554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(CCCl)CCCl)N2N=C(N=[N+]2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N(CCCl)CCCl)N2N=C(N=[N+]2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20Cl2N7O4/c24-12-14-28(15-13-25)21-2-1-3-22(16-21)30-27-23(17-4-6-19(7-5-17)31(33)34)26-29(30)18-8-10-20(11-9-18)32(35)36/h1-11,16H,12-15H2/q+1