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

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]propionamide Formula: C28H41N3O+2 MolecularWeight: 435.64464

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCC2CC[NH+](CC2)CCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H39N3O/c32-28(29-27-17-21-31(23-27)22-26-10-5-2-6-11-26)14-13-25-15-19-30(20-16-25)18-7-12-24-8-3-1-4-9-24/h1-6,8-11,25,27H,7,12-23H2,(H,29,32)/p+2/t27-/m0/s1