4-[[4-(2-azanylethyl)phenyl]amino]-N-octyl-piperidine-1-carboxamide methanoate

Systemtic Name: 4-[[4-(2-azanylethyl)phenyl]amino]-N-octyl-piperidine-1-carboxamide methanoate Openeye Name: 4-[4-(2-aminoethyl)anilino]-N-octyl-piperidine-1-carboxamide formate CAS Name: 4-[4-(2-aminoethyl)anilino]-N-octyl-1-piperidinecarboxamide formate IUPAC Name: 4-[4-(2-aminoethyl)anilino]-N-octylpiperidine-1-carboxamide formate Traditional Name: 4-[4-(2-aminoethyl)anilino]-N-octyl-piperidine-1-carboxamide formate Formula: C23H39N4O3- MolecularWeight: 419.58076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N4O.CH2O2/c1-2-3-4-5-6-7-16-24-22(27)26-17-13-21(14-18-26)25-20-10-8-19(9-11-20)12-15-23;2-1-3/h8-11,21,25H,2-7,12-18,23H2,1H3,(H,24,27);1H,(H,2,3)/p-1