5-chloranyl-2-methoxy-4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 5-chloranyl-2-methoxy-4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenol Openeye Name: 5-chloro-2-methoxy-4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenol CAS Name: 5-chloro-2-methoxy-4-[[(3S)-3-(1-pyrrolidinyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 5-chloro-2-methoxy-4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenol Traditional Name: 5-chloro-2-methoxy-4-[[(3S)-3-pyrrolidinopiperidin-1-ium-1-yl]methyl]phenol Formula: C17H26ClN2O2+ MolecularWeight: 325.85354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCCC(C2)N3CCCC3)Cl)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCC[C@@H](C2)N3CCCC3)Cl)O

InChI

InChI=1S/C17H25ClN2O2/c1-22-17-9-13(15(18)10-16(17)21)11-19-6-4-5-14(12-19)20-7-2-3-8-20/h9-10,14,21H,2-8,11-12H2,1H3/p+1/t14-/m0/s1