1-(3-phenylpropyl)-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(3-phenylpropyl)-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(3-phenylpropyl)-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(3-phenylpropyl)-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(3-phenylpropyl)-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(3-phenylpropyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C18H24N3+ MolecularWeight: 282.40326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H23N3/c1-2-7-17(8-3-1)9-6-12-20-13-15-21(16-14-20)18-10-4-5-11-19-18/h1-5,7-8,10-11H,6,9,12-16H2/p+1