N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-(2-quinolin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H28N4O+2 MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3)C

InChI

InChI=1S/C23H26N4O/c1-17-6-5-9-20(18(17)2)25-23(28)16-26-12-14-27(15-13-26)22-11-10-19-7-3-4-8-21(19)24-22/h3-11H,12-16H2,1-2H3,(H,25,28)/p+2