N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2/c26-20(23-21(27)22-12-11-18-7-3-1-4-8-18)17-24-13-15-25(16-14-24)19-9-5-2-6-10-19/h2,5-7,9-10H,1,3-4,8,11-17H2,(H2,22,23,26,27)/p+1