2-methoxy-5-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]aniline

Systemtic Name: 2-methoxy-5-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]aniline Openeye Name: 5-[(4-benzylpiperazin-4-ium-1-yl)methyl]-2-methoxy-aniline CAS Name: 2-methoxy-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]aniline IUPAC Name: 5-[(4-benzylpiperazin-4-ium-1-yl)methyl]-2-methoxyaniline Traditional Name: [5-[(4-benzylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenyl]amine Formula: C19H26N3O+ MolecularWeight: 312.42924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C19H25N3O/c1-23-19-8-7-17(13-18(19)20)15-22-11-9-21(10-12-22)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15,20H2,1H3/p+1