N-[(3-nitrophenyl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)aniline

Systemtic Name: N-[(3-nitrophenyl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)aniline Openeye Name: N-[(3-nitrophenyl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)aniline CAS Name: N-[(3-nitrophenyl)methyl]-4-[2-(1-piperidin-1-iumyl)ethyl]aniline IUPAC Name: N-[(3-nitrophenyl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)aniline Traditional Name: (3-nitrobenzyl)-[4-(2-piperidin-1-ium-1-ylethyl)phenyl]amine Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O2/c24-23(25)20-6-4-5-18(15-20)16-21-19-9-7-17(8-10-19)11-14-22-12-2-1-3-13-22/h4-10,15,21H,1-3,11-14,16H2/p+1