2-(3-ethoxycarbonyl-5-phenethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-1-yl)ethyl-dimethyl-azanium

Systemtic Name: 2-(3-ethoxycarbonyl-5-phenethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-1-yl)ethyl-dimethyl-azanium Openeye Name: 2-(3-ethoxycarbonyl-5-phenethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-1-yl)ethyl-dimethyl-ammonium CAS Name: 2-(3-ethoxycarbonyl-5-phenethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-1-yl)ethyl-dimethylammonium IUPAC Name: 2-(3-ethoxycarbonyl-5-phenethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-1-yl)ethyl-dimethylazanium Traditional Name: 2-(3-carbethoxy-5-phenethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-1-yl)ethyl-dimethyl-ammonium Formula: C21H32N4O2+2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)CCC3=CC=CC=C3)CC[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)CCC3=CC=CC=C3)CC[NH+](C)C

InChI

InChI=1S/C21H30N4O2/c1-4-27-21(26)20-18-16-24(12-10-17-8-6-5-7-9-17)13-11-19(18)25(22-20)15-14-23(2)3/h5-9H,4,10-16H2,1-3H3/p+2