1-[4-(3-ethylphenoxy)butyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[4-(3-ethylphenoxy)butyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[4-(3-ethylphenoxy)butyl]piperazine-1,4-diium CAS Name: 1-[4-(3-ethylphenoxy)butyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[4-(3-ethylphenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[4-(3-ethylphenoxy)butyl]piperazine-1,4-diium Formula: C23H34N2O+2 MolecularWeight: 354.52886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCCCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)OCCCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H32N2O/c1-2-21-11-8-12-23(19-21)26-18-7-6-13-24-14-16-25(17-15-24)20-22-9-4-3-5-10-22/h3-5,8-12,19H,2,6-7,13-18,20H2,1H3/p+2