N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H24N5O5+ MolecularWeight: 426.44576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N/N=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O5/c27-21(6-7-24-8-10-25(11-9-24)17-4-2-1-3-5-17)23-22-14-16-12-19-20(31-15-30-19)13-18(16)26(28)29/h1-5,12-14H,6-11,15H2,(H,23,27)/p+1/b22-14-