1-(anthracen-9-ylmethyl)-4-(2,5-dimethylphenyl)piperazin-1-ium

Systemtic Name: 1-(anthracen-9-ylmethyl)-4-(2,5-dimethylphenyl)piperazin-1-ium Openeye Name: 1-(9-anthrylmethyl)-4-(2,5-dimethylphenyl)piperazin-1-ium CAS Name: 1-(9-anthracenylmethyl)-4-(2,5-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-(anthracen-9-ylmethyl)-4-(2,5-dimethylphenyl)piperazin-1-ium Traditional Name: 1-(9-anthrylmethyl)-4-(2,5-dimethylphenyl)piperazin-1-ium Formula: C27H29N2+ MolecularWeight: 381.53256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C27H28N2/c1-20-11-12-21(2)27(17-20)29-15-13-28(14-16-29)19-26-24-9-5-3-7-22(24)18-23-8-4-6-10-25(23)26/h3-12,17-18H,13-16,19H2,1-2H3/p+1