N-cycloheptyl-2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-cycloheptyl-2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cycloheptyl-2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-cycloheptyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cycloheptyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-cycloheptyl-2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]acetamide Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NC3CCCCCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3CCCCCC3)OC

InChI

InChI=1S/C22H33N3O3/c1-16-13-17(9-10-20(16)28-2)15-25-12-11-23-22(27)19(25)14-21(26)24-18-7-5-3-4-6-8-18/h9-10,13,18-19H,3-8,11-12,14-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t19-/m1/s1