ethyl 1-(3-phenylpropyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate

Systemtic Name: ethyl 1-(3-phenylpropyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Openeye Name: ethyl 5-isopropyl-1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate CAS Name: 1-(3-phenylpropyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-phenylpropyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Traditional Name: 5-isopropyl-1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)C(C)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)C(C)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2/c1-4-26-21(25)20-18-15-23(16(2)3)14-12-19(18)24(22-20)13-8-11-17-9-6-5-7-10-17/h5-7,9-10,16H,4,8,11-15H2,1-3H3/p+1