5-ethyl-6-pentadecyl-phenanthridin-5-ium-3,8-diamine

Systemtic Name: 5-ethyl-6-pentadecyl-phenanthridin-5-ium-3,8-diamine Openeye Name: 5-ethyl-6-pentadecyl-phenanthridin-5-ium-3,8-diamine CAS Name: 5-ethyl-6-pentadecylphenanthridin-5-ium-3,8-diamine IUPAC Name: 5-ethyl-6-pentadecylphenanthridin-5-ium-3,8-diamine Traditional Name: (3-amino-5-ethyl-6-pentadecyl-phenanthridin-5-ium-8-yl)amine Formula: C30H46N3+ MolecularWeight: 448.70634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1CC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1CC)N)N

InChI

InChI=1S/C30H45N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-29-28-22-24(31)18-20-26(28)27-21-19-25(32)23-30(27)33(29)4-2/h18-23,32H,3-17,31H2,1-2H3/p+1