2-(1-adamantyl)ethyl-[(4R)-1-[(3-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-azanium

Systemtic Name: 2-(1-adamantyl)ethyl-[(4R)-1-[(3-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-azanium Openeye Name: 2-(1-adamantyl)ethyl-[(4R)-1-[(3-methoxyphenyl)methyl]-7-oxo-azepan-4-yl]-methyl-ammonium CAS Name: 2-(1-adamantyl)ethyl-[(4R)-1-[(3-methoxyphenyl)methyl]-7-oxo-4-azepanyl]-methylammonium IUPAC Name: 2-(1-adamantyl)ethyl-[(4R)-1-[(3-methoxyphenyl)methyl]-7-oxoazepan-4-yl]-methylazanium Traditional Name: 2-(1-adamantyl)ethyl-[(4R)-7-keto-1-m-anisyl-azepan-4-yl]-methyl-ammonium Formula: C27H41N2O2+ MolecularWeight: 425.62664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC12CC3CC(C1)CC(C3)C2)C4CCC(=O)N(CC4)CC5=CC(=CC=C5)OC

Isomeric SMILES

C[NH+](CCC12CC3CC(C1)CC(C3)C2)[C@@H]4CCC(=O)N(CC4)CC5=CC(=CC=C5)OC

InChI

InChI=1S/C27H40N2O2/c1-28(11-9-27-16-21-12-22(17-27)14-23(13-21)18-27)24-6-7-26(30)29(10-8-24)19-20-4-3-5-25(15-20)31-2/h3-5,15,21-24H,6-14,16-19H2,1-2H3/p+1/t21?,22?,23?,24-,27?/m1/s1