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

Systemtic Name: methyl 1-(4-propylpiperazin-4-ium-1-yl)isoquinoline-4-carboxylate Openeye Name: methyl 1-(4-propylpiperazin-4-ium-1-yl)isoquinoline-4-carboxylate CAS Name: 1-(4-propyl-1-piperazin-4-iumyl)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-propylpiperazin-4-ium-1-yl)isoquinoline-4-carboxylate Traditional Name: 1-(4-propylpiperazin-4-ium-1-yl)isoquinoline-4-carboxylic acid methyl ester Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2/c1-3-8-20-9-11-21(12-10-20)17-15-7-5-4-6-14(15)16(13-19-17)18(22)23-2/h4-7,13H,3,8-12H2,1-2H3/p+1