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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H30N4O3/c26-19-9-5-4-8-18(19)25-14-12-24(13-15-25)16-20(27)23-21(28)22-11-10-17-6-2-1-3-7-17/h4-6,8-9,26H,1-3,7,10-16H2,(H2,22,23,27,28)/p+1