1-[3-[2-methyl-3-[1-(3-nitrophenyl)piperidin-1-ium-1-yl]phenoxy]propyl]urea

Systemtic Name: 1-[3-[2-methyl-3-[1-(3-nitrophenyl)piperidin-1-ium-1-yl]phenoxy]propyl]urea Openeye Name: 3-[2-methyl-3-[1-(3-nitrophenyl)piperidin-1-ium-1-yl]phenoxy]propylurea CAS Name: 3-[2-methyl-3-[1-(3-nitrophenyl)-1-piperidin-1-iumyl]phenoxy]propylurea IUPAC Name: 3-[2-methyl-3-[1-(3-nitrophenyl)piperidin-1-ium-1-yl]phenoxy]propylurea Traditional Name: 3-[2-methyl-3-[1-(3-nitrophenyl)piperidin-1-ium-1-yl]phenoxy]propylurea Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OCCCNC(=O)N)[N+]2(CCCCC2)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1OCCCNC(=O)N)[N+]2(CCCCC2)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-17-20(10-6-11-21(17)30-15-7-12-24-22(23)27)26(13-3-2-4-14-26)19-9-5-8-18(16-19)25(28)29/h5-6,8-11,16H,2-4,7,12-15H2,1H3,(H2-,23,24,27)/p+1