1-adamantylmethyl-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]-(6-pyrrolidin-1-ylhexyl)azanium

Systemtic Name: 1-adamantylmethyl-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]-(6-pyrrolidin-1-ylhexyl)azanium Openeye Name: 1-adamantylmethyl-[bis(tert-butoxycarbonylamino)methylene]-(6-pyrrolidin-1-ylhexyl)ammonium CAS Name: 1-adamantylmethyl-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]-[6-(1-pyrrolidinyl)hexyl]ammonium IUPAC Name: 1-adamantylmethyl-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]-(6-pyrrolidin-1-ylhexyl)azanium Traditional Name: 1-adamantylmethyl-[bis(tert-butoxycarbonylamino)methylene]-(6-pyrrolidinohexyl)ammonium Formula: C32H57N4O4+ MolecularWeight: 561.81938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=[N+](CCCCCCN1CCCC1)CC23CC4CC(C2)CC(C4)C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=[N+](CCCCCCN1CCCC1)CC23CC4CC(C2)CC(C4)C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C32H56N4O4/c1-30(2,3)39-28(37)33-27(34-29(38)40-31(4,5)6)36(16-10-8-7-9-13-35-14-11-12-15-35)23-32-20-24-17-25(21-32)19-26(18-24)22-32/h24-26H,7-23H2,1-6H3,(H,33,34,37,38)/p+1