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

Systemtic Name: 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-methoxy-1-naphthyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-methoxy-1-naphthalenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-[(4-methoxy-1-naphthyl)methyl]-4-(3-nitrobenzyl)piperazin-4-ium Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)CN3CC[NH+](CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)CN3CC[NH+](CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O3/c1-29-23-10-9-19(21-7-2-3-8-22(21)23)17-25-13-11-24(12-14-25)16-18-5-4-6-20(15-18)26(27)28/h2-10,15H,11-14,16-17H2,1H3/p+1