N-(2-methoxy-5-nitro-phenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine Openeye Name: N-(2-methoxy-5-nitro-phenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine CAS Name: N-(2-methoxy-5-nitrophenyl)-1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumamine IUPAC Name: N-(2-methoxy-5-nitrophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine Traditional Name: (2-methoxy-5-nitro-phenyl)-(1-o-anisylpiperidin-1-ium-4-yl)amine Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2CC[NH+](CC2)CC3=CC=CC=C3OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2CC[NH+](CC2)CC3=CC=CC=C3OC

InChI

InChI=1S/C20H25N3O4/c1-26-19-6-4-3-5-15(19)14-22-11-9-16(10-12-22)21-18-13-17(23(24)25)7-8-20(18)27-2/h3-8,13,16,21H,9-12,14H2,1-2H3/p+1