2-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]aniline

Systemtic Name: 2-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]aniline Openeye Name: 2-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]aniline CAS Name: 2-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]aniline IUPAC Name: 2-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]aniline Traditional Name: [2-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]phenyl]amine Formula: C20H28N3+ MolecularWeight: 310.45642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2N)CC3=CC=CC=C3

InChI

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