8-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-5-nitro-quinoline

Systemtic Name: 8-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-5-nitro-quinoline Openeye Name: 8-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-5-nitro-quinoline CAS Name: 8-[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]-5-nitroquinoline IUPAC Name: 8-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-5-nitroquinoline Traditional Name: 8-[4-(2-methylquinolin-1-ium-4-yl)piperazino]-5-nitro-quinoline Formula: C23H22N5O2+ MolecularWeight: 400.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

InChI

InChI=1S/C23H21N5O2/c1-16-15-22(17-5-2-3-7-19(17)25-16)27-13-11-26(12-14-27)21-9-8-20(28(29)30)18-6-4-10-24-23(18)21/h2-10,15H,11-14H2,1H3/p+1