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

Systemtic Name: [4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]benzyl]ammonium Formula: C20H29N3+2 MolecularWeight: 311.46436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C3=CC=C(C=C3)C[NH3+]

InChI

InChI=1S/C20H27N3/c21-17-19-8-10-20(11-9-19)23-15-13-22(14-16-23)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-17,21H2/p+2