(3S)-1-[1-[(5-methyl-1H-pyrazol-4-yl)carbonyl]piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-[(5-methyl-1H-pyrazol-4-yl)carbonyl]piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(5-methyl-1H-pyrazole-4-carbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[(5-methyl-1H-pyrazol-4-yl)-oxomethyl]-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(5-methyl-1H-pyrazole-4-carbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C(=O)N2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1)C(=O)N2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O2/c1-17-21(15-25-26-17)23(30)27-12-9-20(10-13-27)28-11-5-8-19(16-28)22(29)24-14-18-6-3-2-4-7-18/h2-4,6-7,15,19-20H,5,8-14,16H2,1H3,(H,24,29)(H,25,26)/p+1/t19-/m0/s1