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

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-(1-pyridin-3-ylcarbonylpiperidin-4-yl)propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(pyridine-3-carbonyl)-4-piperidyl]propanamide CAS Name: 3-[1-[oxo(3-pyridinyl)methyl]-4-piperidinyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(1-nicotinoyl-4-piperidyl)propionamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2/c30-24(27-23-12-14-28(19-23)18-21-5-2-1-3-6-21)9-8-20-10-15-29(16-11-20)25(31)22-7-4-13-26-17-22/h1-7,13,17,20,23H,8-12,14-16,18-19H2,(H,27,30)/p+1/t23-/m0/s1