(2S)-2-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentan-1-one

Systemtic Name: (2S)-2-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentan-1-one Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-pentan-1-one CAS Name: (2S)-2-methyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-pentanone IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-methylpentan-1-one Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-pentan-1-one Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCC[C@H](C)C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H26N2O/c1-3-7-15(2)17(20)19-12-10-18(11-13-19)14-16-8-5-4-6-9-16/h4-6,8-9,15H,3,7,10-14H2,1-2H3/p+1/t15-/m0/s1