methyl-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxidanylpropyl)amino]-(phenylmethyl)-(3-phenylpropyl)azanium

Systemtic Name: methyl-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxidanylpropyl)amino]-(phenylmethyl)-(3-phenylpropyl)azanium Openeye Name: benzyl-[tert-butoxycarbonyl(2-hydroxypropyl)amino]-methyl-(3-phenylpropyl)ammonium CAS Name: [2-hydroxypropyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-methyl-(phenylmethyl)-(3-phenylpropyl)ammonium IUPAC Name: benzyl-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-methyl-(3-phenylpropyl)azanium Traditional Name: benzyl-[tert-butoxycarbonyl(2-hydroxypropyl)amino]-methyl-(3-phenylpropyl)ammonium Formula: C25H37N2O3+ MolecularWeight: 413.57288

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C(=O)OC(C)(C)C)[N+](C)(CCCC1=CC=CC=C1)CC2=CC=CC=C2)O

Isomeric SMILES

CC(CN(C(=O)OC(C)(C)C)[N+](C)(CCCC1=CC=CC=C1)CC2=CC=CC=C2)O

InChI

InChI=1S/C25H37N2O3/c1-21(28)19-26(24(29)30-25(2,3)4)27(5,20-23-15-10-7-11-16-23)18-12-17-22-13-8-6-9-14-22/h6-11,13-16,21,28H,12,17-20H2,1-5H3/q+1