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

Systemtic Name: 2-nitro-N-[(1R)-1-phenylethyl]-5-piperazin-4-ium-1-yl-aniline Openeye Name: 2-nitro-N-[(1R)-1-phenylethyl]-5-piperazin-4-ium-1-yl-aniline CAS Name: 2-nitro-N-[(1R)-1-phenylethyl]-5-(1-piperazin-4-iumyl)aniline IUPAC Name: 2-nitro-N-[(1R)-1-phenylethyl]-5-piperazin-4-ium-1-ylaniline Traditional Name: (2-nitro-5-piperazin-4-ium-1-yl-phenyl)-[(1R)-1-phenylethyl]amine Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2/c1-14(15-5-3-2-4-6-15)20-17-13-16(7-8-18(17)22(23)24)21-11-9-19-10-12-21/h2-8,13-14,19-20H,9-12H2,1H3/p+1/t14-/m1/s1