[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-(m-tolylmethyl)piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Traditional Name: [4-(3-methylbenzyl)piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Formula: C25H27N2O+ MolecularWeight: 371.49468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O/c1-20-6-5-7-21(18-20)19-26-14-16-27(17-15-26)25(28)24-12-10-23(11-13-24)22-8-3-2-4-9-22/h2-13,18H,14-17,19H2,1H3/p+1