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

Systemtic Name: 5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline Openeye Name: 5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline CAS Name: 5-[(3S)-3-methyl-1-piperazin-4-iumyl]-2-nitro-N-(2-phenoxyethyl)aniline IUPAC Name: 5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline Traditional Name: [5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitro-phenyl]-(2-phenoxyethyl)amine Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3/c1-15-14-22(11-9-20-15)16-7-8-19(23(24)25)18(13-16)21-10-12-26-17-5-3-2-4-6-17/h2-8,13,15,20-21H,9-12,14H2,1H3/p+1/t15-/m0/s1