1-ethyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzotriazole-5-carboxamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4)N=N1

InChI

InChI=1S/C22H27N5O2/c1-3-27-20-11-8-17(14-19(20)24-25-27)22(28)23-15-21(26-12-4-5-13-26)16-6-9-18(29-2)10-7-16/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,23,28)/p+1/t21-/m1/s1