methyl-[[3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]methyl]phenyl]methyl]azanium

Systemtic Name: methyl-[[3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]methyl]phenyl]methyl]azanium Openeye Name: [3-[(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)methyl]phenyl]methyl-methyl-ammonium CAS Name: methyl-[[3-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]methyl]phenyl]methyl]ammonium IUPAC Name: methyl-[[3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]methyl]phenyl]methyl]azanium Traditional Name: [3-[(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)methyl]benzyl]-methyl-ammonium Formula: C18H31N3O2+2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)C[NH2+]C

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)C[NH2+]C

InChI

InChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-10-8-20(9-11-21)14-16-7-5-6-15(12-16)13-19-4/h5-7,12,19H,8-11,13-14H2,1-4H3/p+2