N-(1-cyanocycloheptyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H28N4O2/c21-16-20(9-3-1-2-4-10-20)22-19(26)15-23-11-13-24(14-12-23)17-5-7-18(25)8-6-17/h5-8,25H,1-4,9-15H2,(H,22,26)/p+1