1-[(4-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium Openeye Name: 1-[(4-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium CAS Name: 1-[(4-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium Traditional Name: 1-(4-nitrobenzyl)-4-(3-phenylpropyl)piperazin-4-ium Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O2/c24-23(25)20-10-8-19(9-11-20)17-22-15-13-21(14-16-22)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-17H2/p+1