2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(oxan-4-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(oxan-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-(p-tolylmethyl)piperazin-1-ium-2-yl]-N-(tetrahydropyran-4-ylmethyl)acetamide CAS Name: 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(4-oxanylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(oxan-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methylbenzyl)piperazin-1-ium-2-yl]-N-(tetrahydropyran-4-ylmethyl)acetamide Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3CCOCC3

InChI

InChI=1S/C20H29N3O3/c1-15-2-4-17(5-3-15)14-23-9-8-21-20(25)18(23)12-19(24)22-13-16-6-10-26-11-7-16/h2-5,16,18H,6-14H2,1H3,(H,21,25)(H,22,24)/p+1/t18-/m1/s1