N-(2-ethylphenyl)-2-[4-(2-piperidin-1-ium-1-ylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(2-piperidin-1-ium-1-ylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(2-piperidin-1-ium-1-ylacetyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(2-piperidin-1-ium-1-ylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(2-piperidin-1-ium-1-ylacetyl)piperazin-1-ium-1-yl]acetamide Formula: C21H34N4O2+2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C21H32N4O2/c1-2-18-8-4-5-9-19(18)22-20(26)16-24-12-14-25(15-13-24)21(27)17-23-10-6-3-7-11-23/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,22,26)/p+2