N1,N4-bis[(1-methylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide hydrate

Systemtic Name: N1,N4-bis[(1-methylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide hydrate Openeye Name: N1,N4-bis[(1-methyl-4-piperidyl)methyl]terephthalamide hydrate CAS Name: N1,N4-bis[(1-methyl-4-piperidinyl)methyl]benzene-1,4-dicarboxamide hydrate IUPAC Name: 1-N,4-N-bis[(1-methylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide hydrate Traditional Name: N,N'-bis[(1-methyl-4-piperidyl)methyl]terephthalamide hydrate Formula: C22H36N4O3 MolecularWeight: 404.54624

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)CNC(=O)C2=CC=C(C=C2)C(=O)NCC3CCN(CC3)C.O

Isomeric SMILES

CN1CCC(CC1)CNC(=O)C2=CC=C(C=C2)C(=O)NCC3CCN(CC3)C.O

InChI

InChI=1S/C22H34N4O2.H2O/c1-25-11-7-17(8-12-25)15-23-21(27)19-3-5-20(6-4-19)22(28)24-16-18-9-13-26(2)14-10-18;/h3-6,17-18H,7-16H2,1-2H3,(H,23,27)(H,24,28);1H2