N1-(anthracen-9-ylmethyl)-N1-[4-(4-azanylbutylamino)butyl]pentane-1,4-diamine trihydrochloride

Systemtic Name: N1-(anthracen-9-ylmethyl)-N1-[4-(4-azanylbutylamino)butyl]pentane-1,4-diamine trihydrochloride Openeye Name: N1-[4-(4-aminobutylamino)butyl]-N1-(9-anthrylmethyl)pentane-1,4-diamine trihydrochloride CAS Name: N1-[4-(4-aminobutylamino)butyl]-N1-(9-anthracenylmethyl)pentane-1,4-diamine trihydrochloride IUPAC Name: 1-N-[4-(4-aminobutylamino)butyl]-1-N-(anthracen-9-ylmethyl)pentane-1,4-diamine trihydrochloride Traditional Name: 4-(4-aminobutylamino)butyl-(4-aminopentyl)-(9-anthrylmethyl)amine trihydrochloride Formula: C28H45Cl3N4 MolecularWeight: 544.0427

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN(CCCCNCCCCN)CC1=C2C=CC=CC2=CC3=CC=CC=C31)N.Cl.Cl.Cl

Isomeric SMILES

CC(CCCN(CCCCNCCCCN)CC1=C2C=CC=CC2=CC3=CC=CC=C31)N.Cl.Cl.Cl

InChI

InChI=1S/C28H42N4.3ClH/c1-23(30)11-10-20-32(19-9-8-18-31-17-7-6-16-29)22-28-26-14-4-2-12-24(26)21-25-13-3-5-15-27(25)28;;;/h2-5,12-15,21,23,31H,6-11,16-20,22,29-30H2,1H3;3*1H