N-methyl-6-[(3S)-3-oxidanylpyrrolidin-1-yl]-N-(quinolin-2-ylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-methyl-6-[(3S)-3-oxidanylpyrrolidin-1-yl]-N-(quinolin-2-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2-quinolylmethyl)pyridin-1-ium-3-carboxamide CAS Name: 6-[(3S)-3-hydroxy-1-pyrrolidinyl]-N-methyl-N-(2-quinolinylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(quinolin-2-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3S)-3-hydroxypyrrolidino]-N-methyl-N-(2-quinolylmethyl)pyridin-1-ium-3-carboxamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)C3=C[NH+]=C(C=C3)N4CCC(C4)O

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)C3=C[NH+]=C(C=C3)N4CC[C@@H](C4)O

InChI

InChI=1S/C21H22N4O2/c1-24(13-17-8-6-15-4-2-3-5-19(15)23-17)21(27)16-7-9-20(22-12-16)25-11-10-18(26)14-25/h2-9,12,18,26H,10-11,13-14H2,1H3/p+1/t18-/m0/s1