N-[(1R)-1-(4-bromophenyl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline

Systemtic Name: N-[(1R)-1-(4-bromophenyl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline Openeye Name: N-[(1R)-1-(4-bromophenyl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: N-[(1R)-1-(4-bromophenyl)ethyl]-5-(4-methyl-1-piperazin-4-iumyl)-2-nitroaniline IUPAC Name: N-[(1R)-1-(4-bromophenyl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: [(1R)-1-(4-bromophenyl)ethyl]-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C19H24BrN4O2+ MolecularWeight: 420.32346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC2=C(C=CC(=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)Br)NC2=C(C=CC(=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23BrN4O2/c1-14(15-3-5-16(20)6-4-15)21-18-13-17(7-8-19(18)24(25)26)23-11-9-22(2)10-12-23/h3-8,13-14,21H,9-12H2,1-2H3/p+1/t14-/m1/s1