1-[2-oxidanylidene-2-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]ethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C25H34N4O2+2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)CC4=CC=CC=C4

InChI

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