1-[3-(2-methylphenoxy)propyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[3-(2-methylphenoxy)propyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[3-(2-methylphenoxy)propyl]piperazine-1,4-diium CAS Name: 1-[3-(2-methylphenoxy)propyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[3-(2-methylphenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[3-(2-methylphenoxy)propyl]piperazine-1,4-diium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OCCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-19-8-5-6-11-21(19)24-17-7-12-22-13-15-23(16-14-22)18-20-9-3-2-4-10-20/h2-6,8-11H,7,12-18H2,1H3/p+2