ethyl 4-[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3R)-3-(1,3-benzodioxol-5-ylamino)-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C20H30N3O4+ MolecularWeight: 376.4699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@H](C2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H29N3O4/c1-2-25-20(24)22-10-7-17(8-11-22)23-9-3-4-16(13-23)21-15-5-6-18-19(12-15)27-14-26-18/h5-6,12,16-17,21H,2-4,7-11,13-14H2,1H3/p+1/t16-/m1/s1