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

Systemtic Name: [1-(4-ethylpiperazin-4-ium-1-yl)isoquinolin-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-(4-ethylpiperazin-4-ium-1-yl)-4-isoquinolyl]-pyrrolidin-1-yl-methanone CAS Name: [1-(4-ethyl-1-piperazin-4-iumyl)-4-isoquinolinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-(4-ethylpiperazin-4-ium-1-yl)isoquinolin-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-(4-ethylpiperazin-4-ium-1-yl)-4-isoquinolyl]-pyrrolidino-methanone Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCCC4

InChI

InChI=1S/C20H26N4O/c1-2-22-11-13-23(14-12-22)19-17-8-4-3-7-16(17)18(15-21-19)20(25)24-9-5-6-10-24/h3-4,7-8,15H,2,5-6,9-14H2,1H3/p+1