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

Systemtic Name: 1-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea CAS Name: 1-[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea Traditional Name: 1-benzyl-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3/c26-20(22-16-17-4-2-1-3-5-17)21-10-11-23-12-14-24(15-13-23)18-6-8-19(9-7-18)25(27)28/h1-9H,10-16H2,(H2,21,22,26)/p+1