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

Systemtic Name: 1-methyl-4-(pyren-1-ylmethyl)piperazin-1-ium Openeye Name: 1-methyl-4-(pyren-1-ylmethyl)piperazin-1-ium CAS Name: 1-methyl-4-(1-pyrenylmethyl)piperazin-1-ium IUPAC Name: 1-methyl-4-(pyren-1-ylmethyl)piperazin-1-ium Traditional Name: 1-methyl-4-(pyren-1-ylmethyl)piperazin-1-ium Formula: C22H23N2+ MolecularWeight: 315.43142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C22H22N2/c1-23-11-13-24(14-12-23)15-19-8-7-18-6-5-16-3-2-4-17-9-10-20(19)22(18)21(16)17/h2-10H,11-15H2,1H3/p+1