1-[(3-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium Openeye Name: 1-[(3-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium IUPAC Name: 1-[(3-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium Traditional Name: 1-(3-phenoxybenzyl)-4-(3-phenylpropyl)piperazin-4-ium Formula: C26H31N2O+ MolecularWeight: 387.53714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O/c1-3-9-23(10-4-1)12-8-16-27-17-19-28(20-18-27)22-24-11-7-15-26(21-24)29-25-13-5-2-6-14-25/h1-7,9-11,13-15,21H,8,12,16-20,22H2/p+1