4-(benzotriazol-1-ylmethyl)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C27H30N5O2+ MolecularWeight: 456.5594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)[NH+]5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)[NH+]5CCCC5

InChI

InChI=1S/C27H29N5O2/c1-34-23-8-6-7-22(17-23)26(31-15-4-5-16-31)18-28-27(33)21-13-11-20(12-14-21)19-32-25-10-3-2-9-24(25)29-30-32/h2-3,6-14,17,26H,4-5,15-16,18-19H2,1H3,(H,28,33)/p+1/t26-/m0/s1