3-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide

Systemtic Name: 3-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]propanamide CAS Name: 3-[1-(1H-indol-3-ylmethyl)-4-piperidin-1-iumyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]propionamide Formula: C28H38N4O+2 MolecularWeight: 446.62752

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCC2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H36N4O/c33-28(30-25-14-17-32(21-25)19-23-6-2-1-3-7-23)11-10-22-12-15-31(16-13-22)20-24-18-29-27-9-5-4-8-26(24)27/h1-9,18,22,25,29H,10-17,19-21H2,(H,30,33)/p+2/t25-/m0/s1