4-[(1R)-1-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-ethyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(1R)-1-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-ethyl]-N,N-dimethyl-aniline Openeye Name: 4-[(1R)-1-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-ethyl]-N,N-dimethyl-aniline CAS Name: 4-[(1R)-1-(1-benzotriazolyl)-2-(4-morpholin-4-iumyl)ethyl]-N,N-dimethylaniline IUPAC Name: 4-[(1R)-1-(benzotriazol-1-yl)-2-morpholin-4-ium-4-ylethyl]-N,N-dimethylaniline Traditional Name: [4-[(1R)-1-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-ethyl]phenyl]-dimethyl-amine Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C[NH+]2CCOCC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H25N5O/c1-23(2)17-9-7-16(8-10-17)20(15-24-11-13-26-14-12-24)25-19-6-4-3-5-18(19)21-22-25/h3-10,20H,11-15H2,1-2H3/p+1/t20-/m0/s1