2-nitro-N-[(2R)-4-phenylbutan-2-yl]-5-piperazin-4-ium-1-yl-aniline

Systemtic Name: 2-nitro-N-[(2R)-4-phenylbutan-2-yl]-5-piperazin-4-ium-1-yl-aniline Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: 2-nitro-N-[(2R)-4-phenylbutan-2-yl]-5-(1-piperazin-4-iumyl)aniline IUPAC Name: 2-nitro-N-[(2R)-4-phenylbutan-2-yl]-5-piperazin-4-ium-1-ylaniline Traditional Name: [(1R)-1-methyl-3-phenyl-propyl]-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O2/c1-16(7-8-17-5-3-2-4-6-17)22-19-15-18(9-10-20(19)24(25)26)23-13-11-21-12-14-23/h2-6,9-10,15-16,21-22H,7-8,11-14H2,1H3/p+1/t16-/m1/s1