3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C17H29N4O+ MolecularWeight: 305.43836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)CCC(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCCC3

InChI

InChI=1S/C17H28N4O/c1-19-12-16(11-18-19)14-20-8-4-5-15(13-20)6-7-17(22)21-9-2-3-10-21/h11-12,15H,2-10,13-14H2,1H3/p+1/t15-/m1/s1