[1-(phenylmethyl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(phenylmethyl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (1-benzylpyrazol-4-yl)-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: [1-(phenylmethyl)-4-pyrazolyl]-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzylpyrazol-4-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzylpyrazol-4-yl)-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-20(2)23-10-8-22(9-11-23)17-27-12-14-28(15-13-27)25(30)24-16-26-29(19-24)18-21-6-4-3-5-7-21/h3-11,16,19-20H,12-15,17-18H2,1-2H3/p+1