[2-(4-pentylpiperazin-4-ium-1-yl)phenyl]methylazanium

Systemtic Name: [2-(4-pentylpiperazin-4-ium-1-yl)phenyl]methylazanium Openeye Name: [2-(4-pentylpiperazin-4-ium-1-yl)phenyl]methylammonium CAS Name: [2-(4-pentyl-1-piperazin-4-iumyl)phenyl]methylammonium IUPAC Name: [2-(4-pentylpiperazin-4-ium-1-yl)phenyl]methylazanium Traditional Name: [2-(4-amylpiperazin-4-ium-1-yl)benzyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+]1CCN(CC1)C2=CC=CC=C2C[NH3+]

Isomeric SMILES

CCCCC[NH+]1CCN(CC1)C2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C16H27N3/c1-2-3-6-9-18-10-12-19(13-11-18)16-8-5-4-7-15(16)14-17/h4-5,7-8H,2-3,6,9-14,17H2,1H3/p+2