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1-[4-[4-(anthracen-9-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone

1-[4-[4-(anthracen-9-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name:1-[4-[4-(anthracen-9-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone
Openeye Name:1-[4-[4-(9-anthrylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone
CAS Name:1-[4-[4-(9-anthracenylmethyl)-1-piperazin-4-iumyl]phenyl]ethanone
IUPAC Name:1-[4-[4-(anthracen-9-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone
Traditional Name:1-[4-[4-(9-anthrylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone
Formula: C27H27N2O+
MolecularWeight: 395.51608
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H26N2O/c1-20(30)21-10-12-24(13-11-21)29-16-14-28(15-17-29)19-27-25-8-4-2-6-22(25)18-23-7-3-5-9-26(23)27/h2-13,18H,14-17,19H2,1H3/p+1


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