N-[(4-chlorophenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline

Systemtic Name: N-[(4-chlorophenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline Openeye Name: N-[(4-chlorophenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: N-[(4-chlorophenyl)methyl]-5-(4-methyl-1-piperazin-4-iumyl)-2-nitroaniline IUPAC Name: N-[(4-chlorophenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: (4-chlorobenzyl)-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C18H22ClN4O2+ MolecularWeight: 361.84588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4O2/c1-21-8-10-22(11-9-21)16-6-7-18(23(24)25)17(12-16)20-13-14-2-4-15(19)5-3-14/h2-7,12,20H,8-11,13H2,1H3/p+1