3-[1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-(2-methyl-4-pyrazol-1-yl-benzyl)piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCC(CC3)CCC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCC(CC3)CCC(=O)N4CCCC4

InChI

InChI=1S/C23H32N4O/c1-19-17-22(27-14-4-11-24-27)7-6-21(19)18-25-15-9-20(10-16-25)5-8-23(28)26-12-2-3-13-26/h4,6-7,11,14,17,20H,2-3,5,8-10,12-13,15-16,18H2,1H3/p+1