1-[(4-butoxyphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(4-butoxyphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(4-butoxyphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(4-butoxyphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(4-butoxyphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(4-butoxybenzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O3/c1-2-3-16-27-21-10-4-18(5-11-21)17-22-12-14-23(15-13-22)19-6-8-20(9-7-19)24(25)26/h4-11H,2-3,12-17H2,1H3/p+1