1-(3-nitrophenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea

Systemtic Name: 1-(3-nitrophenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Openeye Name: 1-(3-nitrophenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea CAS Name: 1-(3-nitrophenyl)-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]urea IUPAC Name: 1-(3-nitrophenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Traditional Name: 1-(3-nitrophenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Formula: C19H24N5O3+ MolecularWeight: 370.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H23N5O3/c25-19(21-16-5-4-8-18(15-16)24(26)27)20-9-10-22-11-13-23(14-12-22)17-6-2-1-3-7-17/h1-8,15H,9-14H2,(H2,20,21,25)/p+1