1-[(3-methoxyphenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium Openeye Name: 1-(1-ethylpropyl)-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium Traditional Name: 1-(1-ethylpropyl)-4-m-anisyl-piperazine-1,4-diium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C17H28N2O/c1-4-16(5-2)19-11-9-18(10-12-19)14-15-7-6-8-17(13-15)20-3/h6-8,13,16H,4-5,9-12,14H2,1-3H3/p+2