N2,N2-dimethyl-N4-(1-methyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)quinoline-2,4-diamine

Systemtic Name: N2,N2-dimethyl-N4-(1-methyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)quinoline-2,4-diamine Openeye Name: N2,N2-dimethyl-N4-(1-methyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)quinoline-2,4-diamine CAS Name: N2,N2-dimethyl-N4-(1-methyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)quinoline-2,4-diamine IUPAC Name: 2-N,2-N-dimethyl-4-N-(1-methyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)quinoline-2,4-diamine Traditional Name: dimethyl-[4-[(1-methyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amino]-2-quinolyl]amine Formula: C18H25N4+ MolecularWeight: 297.4179

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(CCCCC1)NC2=CC(=NC3=CC=CC=C32)N(C)C

Isomeric SMILES

C[N+]1=C(CCCCC1)NC2=CC(=NC3=CC=CC=C32)N(C)C

InChI

InChI=1S/C18H24N4/c1-21(2)18-13-16(14-9-6-7-10-15(14)19-18)20-17-11-5-4-8-12-22(17)3/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3/p+1