methyl 1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxylate

Systemtic Name: methyl 1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxylate Openeye Name: methyl 1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxylate CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxylate Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxylic acid methyl ester Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2/c1-3-19-8-10-20(11-9-19)16-14-7-5-4-6-13(14)15(12-18-16)17(21)22-2/h4-7,12H,3,8-11H2,1-2H3/p+1