1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethyl]-3-(4-ethoxyphenyl)urea

Systemtic Name: 1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethyl]-3-(4-ethoxyphenyl)urea Openeye Name: 1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethyl]-3-(4-ethoxyphenyl)urea CAS Name: 1-[2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]ethyl]-3-(4-ethoxyphenyl)urea IUPAC Name: 1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethyl]-3-(4-ethoxyphenyl)urea Traditional Name: 1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethyl]-3-p-phenetyl-urea Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NCC[NH+]2C(CCCC2C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NCC[NH+]2[C@H](CCC[C@@H]2C)C

InChI

InChI=1S/C18H29N3O2/c1-4-23-17-10-8-16(9-11-17)20-18(22)19-12-13-21-14(2)6-5-7-15(21)3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,19,20,22)/p+1/t14-,15-/m0/s1