ethyl 4-(cyclopropylmethyl)-1-(quinolin-2-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-(quinolin-2-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-(2-quinolylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-(2-quinolinylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-(quinolin-2-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-(2-quinolylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3C=C2)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3C=C2)CC4CC4

InChI

InChI=1S/C22H28N2O2/c1-2-26-21(25)22(15-17-7-8-17)11-13-24(14-12-22)16-19-10-9-18-5-3-4-6-20(18)23-19/h3-6,9-10,17H,2,7-8,11-16H2,1H3/p+1