ethanedioate; 1-[2-methyl-3-(1-prop-2-enylpiperidin-4-yl)phenyl]isoquinoline

Systemtic Name: ethanedioate; 1-[2-methyl-3-(1-prop-2-enylpiperidin-4-yl)phenyl]isoquinoline Openeye Name: 1-[3-(1-allyl-4-piperidyl)-2-methyl-phenyl]isoquinoline; oxalate CAS Name: 1-[2-methyl-3-(1-prop-2-enyl-4-piperidinyl)phenyl]isoquinoline; oxalate IUPAC Name: 1-[2-methyl-3-(1-prop-2-enylpiperidin-4-yl)phenyl]isoquinoline; oxalate Traditional Name: 1-[3-(1-allyl-4-piperidyl)-2-methyl-phenyl]isoquinoline; oxalate Formula: C26H26N2O4-2 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C2CCN(CC2)CC=C)C3=NC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=C(C=CC=C1C2CCN(CC2)CC=C)C3=NC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C24H26N2.C2H2O4/c1-3-15-26-16-12-20(13-17-26)21-9-6-10-22(18(21)2)24-23-8-5-4-7-19(23)11-14-25-24;3-1(4)2(5)6/h3-11,14,20H,1,12-13,15-17H2,2H3;(H,3,4)(H,5,6)/p-2