[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone

Systemtic Name: [(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone Openeye Name: [(3S)-3-(3,4-dimethoxyanilino)-1-piperidyl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone CAS Name: [(3S)-3-(3,4-dimethoxyanilino)-1-piperidinyl]-[1-(1-pyrrolidin-1-iumyl)cyclopentyl]methanone IUPAC Name: [(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone Traditional Name: [(3S)-3-(3,4-dimethoxyanilino)piperidino]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone Formula: C23H36N3O3+ MolecularWeight: 402.55024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3(CCCC3)[NH+]4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3(CCCC3)[NH+]4CCCC4)OC

InChI

InChI=1S/C23H35N3O3/c1-28-20-10-9-18(16-21(20)29-2)24-19-8-7-13-25(17-19)22(27)23(11-3-4-12-23)26-14-5-6-15-26/h9-10,16,19,24H,3-8,11-15,17H2,1-2H3/p+1/t19-/m0/s1