(3-chlorophenyl)-(4-pentan-3-ylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-chlorophenyl)-(4-pentan-3-ylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-chlorophenyl)-[4-(1-ethylpropyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-chlorophenyl)-(4-pentan-3-yl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-chlorophenyl)-(4-pentan-3-ylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-chlorophenyl)-[4-(1-ethylpropyl)piperazin-4-ium-1-yl]methanone Formula: C16H24ClN2O+ MolecularWeight: 295.82756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCC(CC)[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H23ClN2O/c1-3-15(4-2)18-8-10-19(11-9-18)16(20)13-6-5-7-14(17)12-13/h5-7,12,15H,3-4,8-11H2,1-2H3/p+1