1-[[6-[(4-azanylquinolin-1-ium-1-yl)methyl]phenanthren-3-yl]methyl]quinolin-1-ium-4-amine

Systemtic Name: 1-[[6-[(4-azanylquinolin-1-ium-1-yl)methyl]phenanthren-3-yl]methyl]quinolin-1-ium-4-amine Openeye Name: 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-3-phenanthryl]methyl]quinolin-1-ium-4-amine CAS Name: 1-[[6-[(4-amino-1-quinolin-1-iumyl)methyl]-3-phenanthrenyl]methyl]-4-quinolin-1-iumamine IUPAC Name: 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]phenanthren-3-yl]methyl]quinolin-1-ium-4-amine Traditional Name: [1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-3-phenanthryl]methyl]quinolin-1-ium-4-yl]amine Formula: C34H28N4+2 MolecularWeight: 492.61292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=[N+]2CC3=CC4=C(C=CC5=C4C=C(C=C5)C[N+]6=CC=C(C7=CC=CC=C76)N)C=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=[N+]2CC3=CC4=C(C=CC5=C4C=C(C=C5)C[N+]6=CC=C(C7=CC=CC=C76)N)C=C3)N

InChI

InChI=1S/C34H26N4/c35-31-15-17-37(33-7-3-1-5-27(31)33)21-23-9-11-25-13-14-26-12-10-24(20-30(26)29(25)19-23)22-38-18-16-32(36)28-6-2-4-8-34(28)38/h1-20,35-36H,21-22H2/p+2