(2S)-2-piperazin-4-ium-1-yl-1-(4-propan-2-ylphenyl)propan-1-one

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-1-(4-propan-2-ylphenyl)propan-1-one Openeye Name: (2S)-1-(4-isopropylphenyl)-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-2-(1-piperazin-4-iumyl)-1-(4-propan-2-ylphenyl)-1-propanone IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-1-(4-propan-2-ylphenyl)propan-1-one Traditional Name: (2S)-1-p-cumenyl-2-piperazin-4-ium-1-yl-propan-1-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)C(C)C)N2CC[NH2+]CC2

InChI

InChI=1S/C16H24N2O/c1-12(2)14-4-6-15(7-5-14)16(19)13(3)18-10-8-17-9-11-18/h4-7,12-13,17H,8-11H2,1-3H3/p+1/t13-/m0/s1