1-(4-nitrophenyl)-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium CAS Name: 1-(4-nitrophenyl)-4-(1-phenethyl-4-piperidin-1-iumyl)piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium Traditional Name: 1-(4-nitrophenyl)-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium Formula: C23H32N4O2+2 MolecularWeight: 396.52578

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O2/c28-27(29)23-8-6-21(7-9-23)25-16-18-26(19-17-25)22-11-14-24(15-12-22)13-10-20-4-2-1-3-5-20/h1-9,22H,10-19H2/p+2