1-(anthracen-9-ylmethyl)-4-(2,3-dimethylphenyl)piperazin-1-ium

Systemtic Name: 1-(anthracen-9-ylmethyl)-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-(9-anthrylmethyl)-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-(9-anthracenylmethyl)-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-(anthracen-9-ylmethyl)-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-(9-anthrylmethyl)-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C27H29N2+ MolecularWeight: 381.53256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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