8-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]quinoline Openeye Name: 8-[(4-benzylpiperazin-4-ium-1-yl)methyl]quinoline CAS Name: 8-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]quinoline IUPAC Name: 8-[(4-benzylpiperazin-4-ium-1-yl)methyl]quinoline Traditional Name: 8-[(4-benzylpiperazin-4-ium-1-yl)methyl]quinoline Formula: C21H24N3+ MolecularWeight: 318.43536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H23N3/c1-2-6-18(7-3-1)16-23-12-14-24(15-13-23)17-20-9-4-8-19-10-5-11-22-21(19)20/h1-11H,12-17H2/p+1