methyl-(phenylmethyl)-[(3S)-1-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidin-3-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidin-3-yl]azanium Openeye Name: benzyl-[(3S)-1-(1-benzylpyrazole-4-carbonyl)-3-piperidyl]-methyl-ammonium CAS Name: methyl-[(3S)-1-[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-(1-benzylpyrazole-4-carbonyl)-3-piperidyl]-methyl-ammonium Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c1-26(16-20-9-4-2-5-10-20)23-13-8-14-27(19-23)24(29)22-15-25-28(18-22)17-21-11-6-3-7-12-21/h2-7,9-12,15,18,23H,8,13-14,16-17,19H2,1H3/p+1/t23-/m0/s1