1-(4-methoxyphenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-(1-pyrenylmethyl)piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium Formula: C28H27N2O+ MolecularWeight: 407.52678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C28H26N2O/c1-31-25-12-10-24(11-13-25)30-17-15-29(16-18-30)19-23-8-7-22-6-5-20-3-2-4-21-9-14-26(23)28(22)27(20)21/h2-14H,15-19H2,1H3/p+1