[(1R)-2-[4-(1-adamantylcarbonylamino)butanoylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[4-(1-adamantylcarbonylamino)butanoylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[4-(adamantane-1-carbonylamino)butanoylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[4-[[1-adamantyl(oxo)methyl]amino]-1-oxobutyl]amino]-1-(2-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[4-(adamantane-1-carbonylamino)butanoylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-[4-(adamantane-1-carbonylamino)butanoylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C26H40N3O3+ MolecularWeight: 442.6141

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCCNC(=O)C12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4OC

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)CCCNC(=O)C12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4OC

InChI

InChI=1S/C26H39N3O3/c1-29(2)22(21-7-4-5-8-23(21)32-3)17-28-24(30)9-6-10-27-25(31)26-14-18-11-19(15-26)13-20(12-18)16-26/h4-5,7-8,18-20,22H,6,9-17H2,1-3H3,(H,27,31)(H,28,30)/p+1/t18?,19?,20?,22-,26?/m0/s1