1-tert-butyl-N-(4-piperazin-1-ylphenyl)piperidine-4-carboxamide ethanoate

Systemtic Name: 1-tert-butyl-N-(4-piperazin-1-ylphenyl)piperidine-4-carboxamide ethanoate Openeye Name: 1-tert-butyl-N-(4-piperazin-1-ylphenyl)piperidine-4-carboxamide acetate CAS Name: 1-tert-butyl-N-[4-(1-piperazinyl)phenyl]-4-piperidinecarboxamide acetate IUPAC Name: 1-tert-butyl-N-(4-piperazin-1-ylphenyl)piperidine-4-carboxamide acetate Traditional Name: 1-tert-butyl-N-(4-piperazinophenyl)isonipecotamide acetate Formula: C22H35N4O3- MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(=O)[O-].CC(C)(C)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C20H32N4O.C2H4O2/c1-20(2,3)24-12-8-16(9-13-24)19(25)22-17-4-6-18(7-5-17)23-14-10-21-11-15-23;1-2(3)4/h4-7,16,21H,8-15H2,1-3H3,(H,22,25);1H3,(H,3,4)/p-1