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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-propyl-pentan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-propyl-pentan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propyl-1-pentanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-propylpentan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-propyl-pentan-1-one Formula: C19H31N2O+ MolecularWeight: 303.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O/c1-3-8-18(9-4-2)19(22)21-14-12-20(13-15-21)16-17-10-6-5-7-11-17/h5-7,10-11,18H,3-4,8-9,12-16H2,1-2H3/p+1