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

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)ethanamide Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)acetamide CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-(1-cyanocycloheptyl)acetamide IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)acetamide Traditional Name: 2-[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)acetamide Formula: C21H30ClN4O+ MolecularWeight: 389.9421

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H29ClN4O/c22-19-7-5-18(6-8-19)15-25-11-13-26(14-12-25)16-20(27)24-21(17-23)9-3-1-2-4-10-21/h5-8H,1-4,9-16H2,(H,24,27)/p+1