2-chloranyl-3-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[4-(2-methylquinolin-1-ium-4-yl)piperazino]-1,4-naphthoquinone Formula: C24H21ClN3O2+ MolecularWeight: 418.89544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C24H20ClN3O2/c1-15-14-20(18-8-4-5-9-19(18)26-15)27-10-12-28(13-11-27)22-21(25)23(29)16-6-2-3-7-17(16)24(22)30/h2-9,14H,10-13H2,1H3/p+1