1-(2,6-dimethylphenyl)-1-methyl-3-[piperidin-1-ium-1-ylidene(piperidin-1-yl)methyl]urea

Systemtic Name: 1-(2,6-dimethylphenyl)-1-methyl-3-[piperidin-1-ium-1-ylidene(piperidin-1-yl)methyl]urea Openeye Name: 1-(2,6-dimethylphenyl)-1-methyl-3-[piperidin-1-ium-1-ylidene(1-piperidyl)methyl]urea CAS Name: 1-(2,6-dimethylphenyl)-1-methyl-3-[1-piperidin-1-iumylidene(1-piperidinyl)methyl]urea IUPAC Name: 1-(2,6-dimethylphenyl)-1-methyl-3-[piperidin-1-ium-1-ylidene(piperidin-1-yl)methyl]urea Traditional Name: 1-(2,6-dimethylphenyl)-1-methyl-3-[piperidin-1-ium-1-ylidene(piperidino)methyl]urea Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C)C(=O)NC(=[N+]2CCCCC2)N3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C)C(=O)NC(=[N+]2CCCCC2)N3CCCCC3

InChI

InChI=1S/C21H32N4O/c1-17-11-10-12-18(2)19(17)23(3)21(26)22-20(24-13-6-4-7-14-24)25-15-8-5-9-16-25/h10-12H,4-9,13-16H2,1-3H3/p+1