N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(2-isopropylimidazol-1-yl)propyl]-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[3-(2-propan-2-yl-1-imidazolyl)propyl]-6-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[3-(2-isopropylimidazol-1-yl)propyl]-6-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1CCCNC(=O)C2=C[NH+]=C(C=C2)N3CCCC3

Isomeric SMILES

CC(C)C1=NC=CN1CCCNC(=O)C2=C[NH+]=C(C=C2)N3CCCC3

InChI

InChI=1S/C19H27N5O/c1-15(2)18-20-9-13-24(18)12-5-8-21-19(25)16-6-7-17(22-14-16)23-10-3-4-11-23/h6-7,9,13-15H,3-5,8,10-12H2,1-2H3,(H,21,25)/p+1