1-(3-chlorophenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-(1-pyrenylmethyl)piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium Formula: C27H24ClN2+ MolecularWeight: 411.94586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC(=CC=C6)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC(=CC=C6)Cl

InChI

InChI=1S/C27H23ClN2/c28-23-5-2-6-24(17-23)30-15-13-29(14-16-30)18-22-10-9-21-8-7-19-3-1-4-20-11-12-25(22)27(21)26(19)20/h1-12,17H,13-16,18H2/p+1