3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-azanium; 3,3-dimethylpentane-2,2-diamine

Systemtic Name: 3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-azanium; 3,3-dimethylpentane-2,2-diamine Openeye Name: 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium; 3,3-dimethylpentane-2,2-diamine CAS Name: 3-(3,8-diamino-6-phenyl-5-phenanthridin-5-iumyl)propyl-diethyl-methylammonium; 3,3-dimethylpentane-2,2-diamine IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium; 3,3-dimethylpentane-2,2-diamine Traditional Name: (1-amino-1,2,2-trimethyl-butyl)amine; 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium Formula: C34H52N6+2 MolecularWeight: 544.81688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(C)(N)N.CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N

Isomeric SMILES

CCC(C)(C)C(C)(N)N.CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N

InChI

InChI=1S/C27H33N4.C7H18N2/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;1-5-6(2,3)7(4,8)9/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;5,8-9H2,1-4H3/q+1;/p+1