N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-(1-thiophen-3-ylcarbonylpiperidin-4-yl)propanamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-(1-thiophen-3-ylcarbonylpiperidin-4-yl)propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(thiophene-3-carbonyl)-4-piperidyl]propanamide CAS Name: 3-[1-[oxo(3-thiophenyl)methyl]-4-piperidinyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-thenoyl)-4-piperidyl]propionamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CCC2CCN(CC2)C(=O)C3=CSC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCC2CCN(CC2)C(=O)C3=CSC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O2S/c28-23(25-22-10-12-26(17-22)16-20-4-2-1-3-5-20)7-6-19-8-13-27(14-9-19)24(29)21-11-15-30-18-21/h1-5,11,15,18-19,22H,6-10,12-14,16-17H2,(H,25,28)/p+1/t22-/m0/s1