1-[(4-methoxyphenyl)methyl]-3-[3-(pyridin-1-ium-2-ylamino)propyl]urea

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[3-(pyridin-1-ium-2-ylamino)propyl]urea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[3-(pyridin-1-ium-2-ylamino)propyl]urea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[3-(2-pyridin-1-iumylamino)propyl]urea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[3-(pyridin-1-ium-2-ylamino)propyl]urea Traditional Name: 1-p-anisyl-3-[3-(pyridin-1-ium-2-ylamino)propyl]urea Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)NCCCNC2=CC=CC=[NH+]2

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)NCCCNC2=CC=CC=[NH+]2

InChI

InChI=1S/C17H22N4O2/c1-23-15-8-6-14(7-9-15)13-21-17(22)20-12-4-11-19-16-5-2-3-10-18-16/h2-3,5-10H,4,11-13H2,1H3,(H,18,19)(H2,20,21,22)/p+1