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

Systemtic Name: 4-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]aniline Openeye Name: 4-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]aniline CAS Name: 4-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]aniline IUPAC Name: 4-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]aniline Traditional Name: [4-[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=C(C=C2)N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=C(C=C2)N)CC3=CC=CC=C3

InChI

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