ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(cyclopropylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H27ClNO4+ MolecularWeight: 380.88568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C=C2Cl)OCO3)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C=C2Cl)OCO3)CC4CC4

InChI

InChI=1S/C20H26ClNO4/c1-2-24-19(23)20(11-14-3-4-14)5-7-22(8-6-20)12-15-9-17-18(10-16(15)21)26-13-25-17/h9-10,14H,2-8,11-13H2,1H3/p+1