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1-(2,5-dimethylphenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium

1-(2,5-dimethylphenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium

Systemtic Name:1-(2,5-dimethylphenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium
Openeye Name:1-(2,5-dimethylphenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium
CAS Name:1-(2,5-dimethylphenyl)-4-(1-pyrenylmethyl)piperazin-4-ium
IUPAC Name:1-(2,5-dimethylphenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium
Traditional Name:1-(2,5-dimethylphenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium
Formula: C29H29N2+
MolecularWeight: 405.55396
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3


Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3


InChI

InChI=1S/C29H28N2/c1-20-6-7-21(2)27(18-20)31-16-14-30(15-17-31)19-25-11-10-24-9-8-22-4-3-5-23-12-13-26(25)29(24)28(22)23/h3-13,18H,14-17,19H2,1-2H3/p+1


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