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

Systemtic Name: [2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-methyl-(phenylmethyl)-(3-phenylpropyl)azanium Openeye Name: benzyl-[tert-butoxycarbonyl(2-hydroxyethyl)amino]-methyl-(3-phenylpropyl)ammonium CAS Name: [2-hydroxyethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-methyl-(phenylmethyl)-(3-phenylpropyl)ammonium IUPAC Name: benzyl-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-methyl-(3-phenylpropyl)azanium Traditional Name: benzyl-[tert-butoxycarbonyl(2-hydroxyethyl)amino]-methyl-(3-phenylpropyl)ammonium Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N2O3/c1-24(2,3)29-23(28)25(17-19-27)26(4,20-22-14-9-6-10-15-22)18-11-16-21-12-7-5-8-13-21/h5-10,12-15,27H,11,16-20H2,1-4H3/q+1