1-[3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]urea

Systemtic Name: 1-[3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]urea Openeye Name: 3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenoxy]propylurea CAS Name: 3-[3-[(1-ethyl-1-piperidin-1-iumyl)methyl]phenoxy]propylurea IUPAC Name: 3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenoxy]propylurea Traditional Name: 3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenoxy]propylurea Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CC2=CC(=CC=C2)OCCCNC(=O)N

Isomeric SMILES

CC[N+]1(CCCCC1)CC2=CC(=CC=C2)OCCCNC(=O)N

InChI

InChI=1S/C18H29N3O2/c1-2-21(11-4-3-5-12-21)15-16-8-6-9-17(14-16)23-13-7-10-20-18(19)22/h6,8-9,14H,2-5,7,10-13,15H2,1H3,(H2-,19,20,22)/p+1