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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)N)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C1=CC(=CC=C1)N)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3/c1-2-20(18-9-6-10-19(21)15-18)23-13-11-22(12-14-23)16-17-7-4-3-5-8-17/h3-10,15,20H,2,11-14,16,21H2,1H3/p+1/t20-/m0/s1