1-(3-azanyl-4-methyl-phenyl)-3-[1-[2-(butylamino)ethyl]piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(3-azanyl-4-methyl-phenyl)-3-[1-[2-(butylamino)ethyl]piperazin-1-ium-1-yl]propan-1-one Openeye Name: 1-(3-amino-4-methyl-phenyl)-3-[1-[2-(butylamino)ethyl]piperazin-1-ium-1-yl]propan-1-one CAS Name: 1-(3-amino-4-methylphenyl)-3-[1-[2-(butylamino)ethyl]-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-(3-amino-4-methylphenyl)-3-[1-[2-(butylamino)ethyl]piperazin-1-ium-1-yl]propan-1-one Traditional Name: 1-(3-amino-4-methyl-phenyl)-3-[1-[2-(butylamino)ethyl]piperazin-1-ium-1-yl]propan-1-one Formula: C20H35N4O+ MolecularWeight: 347.5181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC[N+]1(CCNCC1)CCC(=O)C2=CC(=C(C=C2)C)N

Isomeric SMILES

CCCCNCC[N+]1(CCNCC1)CCC(=O)C2=CC(=C(C=C2)C)N

InChI

InChI=1S/C20H35N4O/c1-3-4-8-22-9-13-24(14-10-23-11-15-24)12-7-20(25)18-6-5-17(2)19(21)16-18/h5-6,16,22-23H,3-4,7-15,21H2,1-2H3/q+1