bis[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]azanium

Systemtic Name: bis[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]azanium Openeye Name: bis[2-(1-adamantylamino)-2-oxo-ethyl]-[3-(2-oxopyrrolidin-1-yl)propyl]ammonium CAS Name: bis[2-(1-adamantylamino)-2-oxoethyl]-[3-(2-oxo-1-pyrrolidinyl)propyl]ammonium IUPAC Name: bis[2-(1-adamantylamino)-2-oxoethyl]-[3-(2-oxopyrrolidin-1-yl)propyl]azanium Traditional Name: bis[2-(1-adamantylamino)-2-keto-ethyl]-[3-(2-ketopyrrolidino)propyl]ammonium Formula: C31H49N4O3+ MolecularWeight: 525.74576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCC[NH+](CC(=O)NC23CC4CC(C2)CC(C4)C3)CC(=O)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CC(=O)N(C1)CCC[NH+](CC(=O)NC23CC4CC(C2)CC(C4)C3)CC(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H48N4O3/c36-27(32-30-13-21-7-22(14-30)9-23(8-21)15-30)19-34(4-2-6-35-5-1-3-29(35)38)20-28(37)33-31-16-24-10-25(17-31)12-26(11-24)18-31/h21-26H,1-20H2,(H,32,36)(H,33,37)/p+1