1-[3-(3-methyl-4-nitro-phenoxy)propyl]piperazin-4-ium

Systemtic Name: 1-[3-(3-methyl-4-nitro-phenoxy)propyl]piperazin-4-ium Openeye Name: 1-[3-(3-methyl-4-nitro-phenoxy)propyl]piperazin-4-ium CAS Name: 1-[3-(3-methyl-4-nitrophenoxy)propyl]piperazin-4-ium IUPAC Name: 1-[3-(3-methyl-4-nitrophenoxy)propyl]piperazin-4-ium Traditional Name: 1-[3-(3-methyl-4-nitro-phenoxy)propyl]piperazin-4-ium Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCN2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCN2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-12-11-13(3-4-14(12)17(18)19)20-10-2-7-16-8-5-15-6-9-16/h3-4,11,15H,2,5-10H2,1H3/p+1