[2-ethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]azanium

Systemtic Name: [2-ethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]azanium Openeye Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-butyl]ammonium CAS Name: [2-ethyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]ammonium IUPAC Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-ethylbutyl]azanium Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-butyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C[NH3+])N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCC(CC)(C[NH3+])N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H29N3/c1-3-17(4-2,15-18)20-12-10-19(11-13-20)14-16-8-6-5-7-9-16/h5-9H,3-4,10-15,18H2,1-2H3/p+2