5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitro-aniline CAS Name: 5-[(3S)-3-methyl-1-piperazin-4-iumyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitroaniline Traditional Name: benzyl-[5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitro-phenyl]amine Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2/c1-14-13-21(10-9-19-14)16-7-8-18(22(23)24)17(11-16)20-12-15-5-3-2-4-6-15/h2-8,11,14,19-20H,9-10,12-13H2,1H3/p+1/t14-/m0/s1