(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]-(pyridin-2-ylmethyl)azanium Openeye Name: (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(2-pyridylmethyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-[[(2R)-2-oxolanyl]methyl]-(2-pyridinylmethyl)ammonium IUPAC Name: (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]-(pyridin-2-ylmethyl)azanium Traditional Name: (5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(2-pyridylmethyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C[NH+](CC2CCCO2)CC3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C[NH+](C[C@H]2CCCO2)CC3=CC=CC=N3)C

InChI

InChI=1S/C21H29N3O3/c1-4-26-21(25)20-15(2)19(16(3)23-20)14-24(13-18-9-7-11-27-18)12-17-8-5-6-10-22-17/h5-6,8,10,18,23H,4,7,9,11-14H2,1-3H3/p+1/t18-/m1/s1