butanedioate; [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanamine

Systemtic Name: butanedioate; [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanamine Openeye Name: butanedioate; [3-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]phenyl]methanamine CAS Name: butanedioate; [3-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]phenyl]methanamine IUPAC Name: butanedioate; [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanamine Traditional Name: [3-[[4-(2-isopropoxyphenyl)piperazino]methyl]benzyl]amine; succinate Formula: C25H33N3O5-2 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)CN.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)CN.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H29N3O.C4H6O4/c1-17(2)25-21-9-4-3-8-20(21)24-12-10-23(11-13-24)16-19-7-5-6-18(14-19)15-22;5-3(6)1-2-4(7)8/h3-9,14,17H,10-13,15-16,22H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/p-2