N'-(anthracen-9-ylmethyl)-N-(4-piperazin-1-ylbutyl)butane-1,4-diamine hydrochloride

Systemtic Name: N'-(anthracen-9-ylmethyl)-N-(4-piperazin-1-ylbutyl)butane-1,4-diamine hydrochloride Openeye Name: N'-(9-anthrylmethyl)-N-(4-piperazin-1-ylbutyl)butane-1,4-diamine hydrochloride CAS Name: N'-(9-anthracenylmethyl)-N-[4-(1-piperazinyl)butyl]butane-1,4-diamine hydrochloride IUPAC Name: N'-(anthracen-9-ylmethyl)-N-(4-piperazin-1-ylbutyl)butane-1,4-diamine hydrochloride Traditional Name: 9-anthrylmethyl-[4-(4-piperazinobutylamino)butyl]amine hydrochloride Formula: C27H39ClN4 MolecularWeight: 455.07836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCCNCCCCNCC2=C3C=CC=CC3=CC4=CC=CC=C42.Cl

Isomeric SMILES

C1CN(CCN1)CCCCNCCCCNCC2=C3C=CC=CC3=CC4=CC=CC=C42.Cl

InChI

InChI=1S/C27H38N4.ClH/c1-3-11-25-23(9-1)21-24-10-2-4-12-26(24)27(25)22-30-15-6-5-13-28-14-7-8-18-31-19-16-29-17-20-31;/h1-4,9-12,21,28-30H,5-8,13-20,22H2;1H