(2-methylpyrazol-3-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]methanone

Systemtic Name: (2-methylpyrazol-3-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]methanone Openeye Name: (2-methylpyrazol-3-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]-1-piperidyl]methanone CAS Name: (2-methyl-3-pyrazolyl)-[4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: (2-methylpyrazol-3-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]methanone Traditional Name: (2-methylpyrazol-3-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidino]methanone Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N2CCC(CC2)C3CC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C(=CC=N1)C(=O)N2CCC(CC2)[C@H]3CC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O/c1-24-21(7-12-23-24)22(27)26-15-10-19(11-16-26)20-9-14-25(17-20)13-8-18-5-3-2-4-6-18/h2-7,12,19-20H,8-11,13-17H2,1H3/p+1/t20-/m0/s1