4-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]ethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C20H32N4O2+2 MolecularWeight: 360.49368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C20H30N4O2/c1-16(2)18-5-3-17(4-6-18)13-22-9-11-24(12-10-22)20(26)15-23-8-7-21-19(25)14-23/h3-6,16H,7-15H2,1-2H3,(H,21,25)/p+2