1-[10-(4-azanyl-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine; (E)-undec-2-enoate

Systemtic Name: 1-[10-(4-azanyl-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine; (E)-undec-2-enoate Openeye Name: 1-[10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine; (E)-undec-2-enoate CAS Name: 1-[10-(4-amino-2-methyl-1-quinolin-1-iumyl)decyl]-2-methyl-4-quinolin-1-iumamine; (E)-2-undecenoate IUPAC Name: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine; (E)-undec-2-enoate Traditional Name: [1-[10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-yl]amine; (E)-undec-2-enoate Formula: C52H78N4O4 MolecularWeight: 823.20012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC(=O)[O-].CCCCCCCCC=CC(=O)[O-].CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C

Isomeric SMILES

CCCCCCCC/C=C/C(=O)[O-].CCCCCCCC/C=C/C(=O)[O-].CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C34)N)C

InChI

InChI=1S/C30H38N4.2C11H20O2/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*1-2-3-4-5-6-7-8-9-10-11(12)13/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*9-10H,2-8H2,1H3,(H,12,13)/b;2*10-9+