[1-(4-ethylpiperazin-4-ium-1-yl)isoquinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(4-ethylpiperazin-4-ium-1-yl)isoquinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(4-ethylpiperazin-4-ium-1-yl)-4-isoquinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(4-ethyl-1-piperazin-4-iumyl)-4-isoquinolinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(4-ethylpiperazin-4-ium-1-yl)isoquinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(4-ethylpiperazin-4-ium-1-yl)-4-isoquinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H31N5O+2 MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H29N5O/c1-3-24-10-14-25(15-11-24)20-18-7-5-4-6-17(18)19(16-22-20)21(27)26-12-8-23(2)9-13-26/h4-7,16H,3,8-15H2,1-2H3/p+2