[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone CAS Name: [4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Traditional Name: [4-(4-ethylbenzyl)piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Formula: C26H29N2O+ MolecularWeight: 385.52126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O/c1-2-21-8-10-22(11-9-21)20-27-16-18-28(19-17-27)26(29)25-14-12-24(13-15-25)23-6-4-3-5-7-23/h3-15H,2,16-20H2,1H3/p+1