N2-[(4-methoxyphenyl)methyl]-4-[4-(phenylmethyl)-1H-pyrrolizin-4-ium-3-yl]benzene-1,2-diamine

Systemtic Name: N2-[(4-methoxyphenyl)methyl]-4-[4-(phenylmethyl)-1H-pyrrolizin-4-ium-3-yl]benzene-1,2-diamine Openeye Name: 4-(4-benzyl-1H-pyrrolizin-4-ium-3-yl)-N2-[(4-methoxyphenyl)methyl]benzene-1,2-diamine CAS Name: N2-[(4-methoxyphenyl)methyl]-4-[4-(phenylmethyl)-1H-pyrrolizin-4-ium-3-yl]benzene-1,2-diamine IUPAC Name: 4-(4-benzyl-1H-pyrrolizin-4-ium-3-yl)-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine Traditional Name: [2-amino-5-(4-benzyl-1H-pyrrolizin-4-ium-3-yl)phenyl]-p-anisyl-amine Formula: C28H28N3O+ MolecularWeight: 422.54142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C=CC(=C2)C3=CCC4=CC=C[N+]43CC5=CC=CC=C5)N

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C=CC(=C2)C3=CCC4=CC=C[N+]43CC5=CC=CC=C5)N

InChI

InChI=1S/C28H28N3O/c1-32-25-13-9-21(10-14-25)19-30-27-18-23(11-15-26(27)29)28-16-12-24-8-5-17-31(24,28)20-22-6-3-2-4-7-22/h2-11,13-18,30H,12,19-20,29H2,1H3/q+1