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

Systemtic Name: 4-[(1R)-1-(benzotriazol-1-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N,N-dimethyl-aniline Openeye Name: 4-[(1R)-1-(benzotriazol-1-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N,N-dimethyl-aniline CAS Name: 4-[(1R)-1-(1-benzotriazolyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-N,N-dimethylaniline IUPAC Name: 4-[(1R)-1-(benzotriazol-1-yl)-2-pyrrolidin-1-ium-1-ylethyl]-N,N-dimethylaniline Traditional Name: [4-[(1R)-1-(benzotriazol-1-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]phenyl]-dimethyl-amine Formula: C20H26N5+ MolecularWeight: 336.45394

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C[NH+]2CCCC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](C[NH+]2CCCC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H25N5/c1-23(2)17-11-9-16(10-12-17)20(15-24-13-5-6-14-24)25-19-8-4-3-7-18(19)21-22-25/h3-4,7-12,20H,5-6,13-15H2,1-2H3/p+1/t20-/m0/s1