1-[(S)-benzotriazol-1-yl-(4-methoxyphenyl)methyl]-N,N-dimethyl-pyridin-1-ium-4-amine

Systemtic Name: 1-[(S)-benzotriazol-1-yl-(4-methoxyphenyl)methyl]-N,N-dimethyl-pyridin-1-ium-4-amine Openeye Name: 1-[(S)-benzotriazol-1-yl-(4-methoxyphenyl)methyl]-N,N-dimethyl-pyridin-1-ium-4-amine CAS Name: 1-[(S)-1-benzotriazolyl-(4-methoxyphenyl)methyl]-N,N-dimethyl-4-pyridin-1-iumamine IUPAC Name: 1-[(S)-benzotriazol-1-yl-(4-methoxyphenyl)methyl]-N,N-dimethylpyridin-1-ium-4-amine Traditional Name: [1-[(S)-benzotriazol-1-yl-(4-methoxyphenyl)methyl]pyridin-1-ium-4-yl]-dimethyl-amine Formula: C21H22N5O+ MolecularWeight: 360.43228

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(C2=CC=C(C=C2)OC)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)[C@H](C2=CC=C(C=C2)OC)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22N5O/c1-24(2)17-12-14-25(15-13-17)21(16-8-10-18(27-3)11-9-16)26-20-7-5-4-6-19(20)22-23-26/h4-15,21H,1-3H3/q+1/t21-/m0/s1