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

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]propionamide Formula: C25H36N4O+2 MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCC2CC[NH+](CC2)CC3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c30-25(27-24-12-16-29(20-24)18-22-5-2-1-3-6-22)9-8-21-10-14-28(15-11-21)19-23-7-4-13-26-17-23/h1-7,13,17,21,24H,8-12,14-16,18-20H2,(H,27,30)/p+2/t24-/m0/s1