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

Systemtic Name: 3-[(1S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]aniline Openeye Name: 3-[(1S)-1-(4-benzylpiperazin-4-ium-1-yl)ethyl]aniline CAS Name: 3-[(1S)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]aniline IUPAC Name: 3-[(1S)-1-(4-benzylpiperazin-4-ium-1-yl)ethyl]aniline Traditional Name: [3-[(1S)-1-(4-benzylpiperazin-4-ium-1-yl)ethyl]phenyl]amine Formula: C19H26N3+ MolecularWeight: 296.42984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3/c1-16(18-8-5-9-19(20)14-18)22-12-10-21(11-13-22)15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15,20H2,1H3/p+1/t16-/m0/s1