[2-[4-(3-oxidanylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [2-[4-(3-oxidanylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-(3-hydroxypropyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-(3-hydroxypropyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-(3-hydroxypropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-(3-hydroxypropyl)piperazin-4-ium-1-yl]benzyl]ammonium Formula: C14H25N3O+2 MolecularWeight: 251.3678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCO)C2=CC=CC=C2C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CCCO)C2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C14H23N3O/c15-12-13-4-1-2-5-14(13)17-9-7-16(8-10-17)6-3-11-18/h1-2,4-5,18H,3,6-12,15H2/p+2