(3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-yl-piperidin-1-ium

Systemtic Name: (3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-yl-piperidin-1-ium Openeye Name: (3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-yl-piperidin-1-ium CAS Name: (3S)-1-[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl]-3-(1-pyrrolidinyl)piperidin-1-ium IUPAC Name: (3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidin-1-ium Traditional Name: (3S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]-3-pyrrolidino-piperidin-1-ium Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)N3CCCC3)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)N3CCCC3)CN4C=CC=N4

InChI

InChI=1S/C21H30N4O/c1-26-21-8-7-18(14-19(21)16-25-13-5-9-22-25)15-23-10-4-6-20(17-23)24-11-2-3-12-24/h5,7-9,13-14,20H,2-4,6,10-12,15-17H2,1H3/p+1/t20-/m0/s1