1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)urea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O3/c1-14-12-16(23-10-8-22(2)9-11-23)6-7-18(14)21-19(25)20-15-4-3-5-17(13-15)24(26)27/h3-7,12-13H,8-11H2,1-2H3,(H2,20,21,25)/p+1