[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(1R)-1-(4-bromophenyl)propyl]azanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(1R)-1-(4-bromophenyl)propyl]azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-[(1R)-1-(4-bromophenyl)propyl]ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-[(1R)-1-(4-bromophenyl)propyl]ammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-[(1R)-1-(4-bromophenyl)propyl]azanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-[(1R)-1-(4-bromophenyl)propyl]ammonium Formula: C21H30BrN2O+ MolecularWeight: 406.3797

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)[NH2+]CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)[NH2+]CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29BrN2O/c1-2-19(17-3-5-18(22)6-4-17)23-13-20(25)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16,19,23H,2,7-13H2,1H3,(H,24,25)/p+1/t14?,15?,16?,19-,21?/m1/s1